6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C15H13ClF2N4 — CID 137391908

IUPAC6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3C[C@@H](F)[C@H](F)C3)c2)c(Cl)n1
InChIInChI=1S/C15H13ClF2N4/c16-15-12(2-1-11(5-19)21-15)10-6-20-22(8-10)7-9-3-13(17)14(18)4-9/h1-2,6,8-9,13-14H,3-4,7H2/t13-,14-/m1/s1
InChIKeyZNEIVCONDGNISE-ZIAGYGMSSA-N
MW322.75 g/mol
LogP3.56
Rot. Bonds3

About 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137391908) has the molecular formula C15H13ClF2N4 and a molecular weight of 322.75 g/mol. Its IUPAC name is 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137391908
Molecular FormulaC15H13ClF2N4
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2cnn(CC3C[C@@H](F)[C@H](F)C3)c2)c(Cl)n1
InChIInChI=1S/C15H13ClF2N4/c16-15-12(2-1-11(5-19)21-15)10-6-20-22(8-10)7-9-3-13(17)14(18)4-9/h1-2,6,8-9,13-14H,3-4,7H2/t13-,14-/m1/s1
InChIKeyZNEIVCONDGNISE-ZIAGYGMSSA-N
XLogP3.56
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130
6-chloro-5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374233
6-chloro-5-[1-[(1,3-dihydroxycyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373955
6-chloro-5-[1-(2-oxopropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373959
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-chloro-5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 147743300
6-(1,2-dimethylbenzimidazol-5-yl)-5-[1-[(3-fluorocyclobutyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137390414
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine
CID 137388705
6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide
CID 129301785
2-[1-(cyclopropylmethyl)pyrazol-4-yl]-4-(trifluoromethyl)benzonitrile
CID 172915485
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137391908) is 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2cnn(CC3C[C@@H](F)[C@H](F)C3)c2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is ZNEIVCONDGNISE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H13ClF2N4/c16-15-12(2-1-11(5-19)21-15)10-6-20-22(8-10)7-9-3-13(17)14(18)4-9/h1-2,6,8-9,13-14H,3-4,7H2/t13-,14-/m1/s1.
What are the key properties of 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 322.75 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137391908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).