N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C17H12FN5O — CID 146089418

IUPACN-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(F)c1
InChIInChI=1S/C17H12FN5O/c1-11-4-5-14(15(18)7-11)17(24)22-13-9-21-23(10-13)16-12(8-19)3-2-6-20-16/h2-7,9-10H,1H3,(H,22,24)
InChIKeyLIMCRYWARAWOHI-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.84
Rot. Bonds3

About N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide

N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 146089418) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID146089418
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC NameN-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(F)c1
InChIInChI=1S/C17H12FN5O/c1-11-4-5-14(15(18)7-11)17(24)22-13-9-21-23(10-13)16-12(8-19)3-2-6-20-16/h2-7,9-10H,1H3,(H,22,24)
InChIKeyLIMCRYWARAWOHI-UHFFFAOYSA-N
XLogP2.84
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
CID 81004502
2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 79777050
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(3-cyano-4-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 62340831
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
1-[5-cyano-6-(2-fluoro-4-methylphenyl)-3-pyridinyl]pyrazole-4-carboxylic acid
CID 86300877
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 146089418) is N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(F)c1.
What is the InChIKey of N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is LIMCRYWARAWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c1-11-4-5-14(15(18)7-11)17(24)22-13-9-21-23(10-13)16-12(8-19)3-2-6-20-16/h2-7,9-10H,1H3,(H,22,24).
What are the key properties of N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 321.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-2-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 146089418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).