N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide

C20H11F2N5O — CID 108747313

IUPACN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide
SMILESN#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C20H11F2N5O/c21-14-6-7-16(22)15(9-14)20(28)26-19-13(10-23)11-24-27(19)18-8-5-12-3-1-2-4-17(12)25-18/h1-9,11H,(H,26,28)
InChIKeyDKJLFXVLWXYYPI-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.82
Rot. Bonds3

About N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide

N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide (PubChem CID 108747313) has the molecular formula C20H11F2N5O and a molecular weight of 375.34 g/mol. Its IUPAC name is N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide
PubChem CID108747313
Molecular FormulaC20H11F2N5O
Molecular Weight375.34 g/mol
Exact Mass375.09
IUPAC NameN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide
SMILESN#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1cc(F)ccc1F
InChIInChI=1S/C20H11F2N5O/c21-14-6-7-16(22)15(9-14)20(28)26-19-13(10-23)11-24-27(19)18-8-5-12-3-1-2-4-17(12)25-18/h1-9,11H,(H,26,28)
InChIKeyDKJLFXVLWXYYPI-UHFFFAOYSA-N
XLogP3.82
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108769371
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801132
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
CID 108747297
ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate
CID 108747257
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779168
[4-[(E)-3-[(4-cyano-1-quinolin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 108769379
(Z)-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108769375
5-[(3-chloroquinoxalin-2-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779190
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 108802597
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
5-[(6-phenylpyridazin-3-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779144
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide (CID 108747313) is N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide is N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide?
The InChIKey is DKJLFXVLWXYYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N5O/c21-14-6-7-16(22)15(9-14)20(28)26-19-13(10-23)11-24-27(19)18-8-5-12-3-1-2-4-17(12)25-18/h1-9,11H,(H,26,28).
What are the key properties of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide?
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide has a molecular weight of 375.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 108747313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).