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Letrozole

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Identification
Molecular formula
C17H11N5
CAS number
112809-51-5
IUPAC name
4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
State
State

Letrozole is a solid at room temperature.

Melting point (Celsius)
184.00
Melting point (Kelvin)
457.15
Boiling point (Celsius)
492.30
Boiling point (Kelvin)
765.45
General information
Molecular weight
285.31g/mol
Molar mass
285.3060g/mol
Density
1.3000g/cm3
Appearence

Letrozole typically appears as a white to yellowish crystalline powder. It is odorless.

Comment on solubility

Solubility of 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile (C17H11N5)

The solubility of 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile is an intriguing aspect of this compound's chemical profile, given its intricate molecular structure. Understanding its solubility can provide valuable insights into its potential applications in various fields, from medicinal chemistry to materials science.

Factors Influencing Solubility

The solubility of this compound can be influenced by several factors:

  • Molecular Structure: The presence of various functional groups, such as the triazole ring and nitrile, can affect solubility in polar and non-polar solvents.
  • Polarity: The polar nature of the nitrile group suggests that the compound may have some solubility in polar solvents like water or methanol, but it will likely be limited.
  • Hydrophobic Interactions: The extended aromatic system may contribute to hydrophobic characteristics, potentially hindering solubility in polar environments.

General Insights

In general, for compounds such as 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile, the following points can be considered:

  1. It may exhibit moderate solubility in organic solvents due to the organic nature of the compound.
  2. Limited solubility in water is anticipated because of its hydrophobic components.
  3. Solubility can vary significantly based on factors like temperature and solvent polarity.

Ultimately, it is essential to conduct empirical solubility tests to determine the specific solubility characteristics of this compound in various solvents to facilitate its practical applications in research and industry.

Interesting facts

Interesting Facts about 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile

4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile is a fascinating compound that has garnered attention for its potential applications in pharmaceuticals and material science. Here are some interesting aspects of this compound:

  • Pharmaceutical Potential: Compounds that contain triazole rings are known for their significant biological activities, including antifungal, antibacterial, and anticancer properties. This specific compound could be a promising candidate for drug development aimed at targeting various diseases.
  • Unique Structural Features: The presence of both the 12,4-triazole and nitrile functionalities in the same molecule adds to its chemical complexity. These components often influence the compound's interactions with biological targets and contribute to its unique reactivity.
  • Applications in Material Science: Beyond its medicinal properties, this compound may also play a role in the development of novel materials, such as sensors and polymers. The diverse functional groups allow for various modifications, enhancing its applicability.
  • Research Interest: The synthesis and characterization of such compounds often spark interest in the field of organic chemistry. Researchers may explore different synthetic pathways to optimize yields and purity, contributing to the ongoing development of more effective medicinal compounds.
  • Structure-Activity Relationship (SAR): Analyzing the relationship between the compound’s structure and its biological activity can provide valuable insights. Investigating how changes in various functional groups affect its efficacy could lead to the design of more potent derivatives.

Overall, 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile represents a multi-faceted compound worthy of exploration. As research continues, its full potential in both medicinal and synthetic applications remains to be uncovered, making it a subject of intrigue in the scientific community.

Synonyms
letrozole
112809-51-5
Femara
4,4'-((1h-1,2,4-triazol-1-yl)methylene)dibenzonitrile
Letrozol
CGS 20267
Letoval
CGS-20267
Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-
4,4'-(1h-1,2,4-triazol-1-ylmethylene)bisbenzonitrile
4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile
4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
Femera
4,4'-(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile
HSDB 7461
UNII-7LKK855W8I
NSC-759652
7LKK855W8I
CCRIS 8822
CHEBI:6413
DTXSID4023202
CGS20267
CHEMBL1444
4-[(4-CYANOPHENYL)(1H-1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE
DTXCID503202
Letrozole [USAN:USP:INN:BAN]
NSC719345
NSC 759652
4,4'-(1h-1,2,4-triazol-1-ylmethylene) bis-benzonitrile
NCGC00016973-01
CAS-112809-51-5
LETROZOLE (MART.)
LETROZOLE [MART.]
LETROZOLE (USP-RS)
LETROZOLE [USP-RS]
KISQALI FEMARA CO-PACK COMPONENT LETROZOLE
C17H11N5
LETROZOLE (EP IMPURITY)
LETROZOLE [EP IMPURITY]
LETROZOLE (EP MONOGRAPH)
LETROZOLE [EP MONOGRAPH]
LETROZOLE (USP MONOGRAPH)
LETROZOLE [USP MONOGRAPH]
Letrozole (USAN:USP:INN:BAN)
SMR000466343
Femara (TN)
LETRAZOLE
SR-01000759382
letrozolum
Letrozole (JAN/USP/INN)
4,4'-(1h-1,2,4-triazol-1-ylmethylene)bis-benzonitrile
Letrozole?
Letrozole Tablets
1-[bis(4-cyanophenyl)methyl]-1,2,4-triazole
FEM-345
Femara, Letrozole
Letrozole (Standard)
4,4'-(1H-1,2,4-triazol-1-yl-methylene)-bis(benzonitrile)
LETROZOLE [INN]
LETROZOLE [JAN]
LETROZOLE [MI]
LETROZOLE [HSDB]
LETROZOLE [USAN]
Prestwick0_001025
Prestwick1_001025
Prestwick2_001025
Prestwick3_001025
Femara (TN) (Novartis)
LETROZOLE [WHO-DD]
SCHEMBL4331
1-[Bis-(4-cyanophenyl)methyl]-1,2,4-triazole
BIDD:PXR0130
BSPBio_001209
MLS000759455
MLS001424038
MLS002584991
MLS006010040
BIDD:GT0015
Letrozole - Bio-X trade mark
SPBio_003070
BPBio1_001331
GTPL5209
LETROZOLE [ORANGE BOOK]
Letrozole, >=98% (HPLC)
BDBM13061
EX-A965
L02BG04
HMS1571M11
HMS2051E08
HMS2089L22
HMS2098M11
HMS2233C23
HMS3369E11
HMS3393E08
HMS3651K05
HMS3715M11
Pharmakon1600-01502354
BCP23354
IVB71296
Tox21_110719
Tox21_303572
HY-14248R
MFCD00866241
NSC759652
s1235
STL451047
AKOS005145822
AB07525
AC-1193
BCP9000848
CCG-100849
CS-1776
DB01006
FL24873
KS-1269
NC00099
NSC-719345
NCGC00016973-02
NCGC00016973-03
NCGC00016973-06
NCGC00257460-01
BL164620
HY-14248
BCP0726000213
1-Bis(4-cyanophenyl)methyl-1,2,4-triazole
4,2,4-Triazol-1-ylmethylene)dibenzonitrile
AB00514009
L0248
NS00000663
SW197294-4
A25380
C08163
D00964
EN300-264820
AB00514009-05
AB00514009-07
AB00514009-08
AB00514009-09
AB00514009_10
AB00514009_11
Q194974
W-60273
4,4'-(1,2,4-Triazol-1-ylmethylene)dibenzonitrile
LETROZOLE COMPONENT OF KISQALI FEMARA CO-PACK
SR-01000759382-4
SR-01000759382-5
4,4'-(1H-1,2,4triazol-1-ylmethylene)dibenzonitrile
BRD-K88789588-001-03-2
BRD-K88789588-001-14-9
4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile
F2173-0288
Z1741968261
4,4'-((1H-1,2,4-Triazol-1-yl)-methylene)dibenzonitrile
4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]
Letrozole, European Pharmacopoeia (EP) Reference Standard
Letrozole, United States Pharmacopeia (USP) Reference Standard
4-[1-(4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE
Letrozole, Pharmaceutical Secondary Standard; Certified Reference Material