2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile

C24H30ClN5O2 — CID 56838490

IUPAC2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile
SMILESN#Cc1ccc(N2N=C(N3CC(C(=O)N4CCC(O)CC4)C3)C[C@@H]2C2CCCC2)cc1Cl
InChIInChI=1S/C24H30ClN5O2/c25-21-11-19(6-5-17(21)13-26)30-22(16-3-1-2-4-16)12-23(27-30)29-14-18(15-29)24(32)28-9-7-20(31)8-10-28/h5-6,11,16,18,20,22,31H,1-4,7-10,12,14-15H2/t22-/m1/s1
InChIKeyJBGYEQSKNNTQHK-JOCHJYFZSA-N
MW455.99 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile

2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile (PubChem CID 56838490) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile
PubChem CID56838490
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC Name2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile
SMILESN#Cc1ccc(N2N=C(N3CC(C(=O)N4CCC(O)CC4)C3)C[C@@H]2C2CCCC2)cc1Cl
InChIInChI=1S/C24H30ClN5O2/c25-21-11-19(6-5-17(21)13-26)30-22(16-3-1-2-4-16)12-23(27-30)29-14-18(15-29)24(32)28-9-7-20(31)8-10-28/h5-6,11,16,18,20,22,31H,1-4,7-10,12,14-15H2/t22-/m1/s1
InChIKeyJBGYEQSKNNTQHK-JOCHJYFZSA-N
XLogP3.21
TPSA83.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile 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

2-chloro-4-[3-cyclopentyl-5-[(1S,5R)-6-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3,4-dihydropyrazol-2-yl]benzonitrile
CID 71558852
2-chloro-4-[3-cyclopentyl-5-[(1R,5S)-6-[4-(dimethylamino)piperidine-1-carbonyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3,4-dihydropyrazol-2-yl]benzonitrile
CID 71559294
2-chloro-4-[(3R)-3-cyclopentyl-5-[2-(4-methylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-3,4-dihydropyrazol-2-yl]benzonitrile
CID 66550074
4-[3-cyclopentyl-5-[2-(4-hydroxypiperidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3,4-dihydropyrazol-2-yl]-2-methylbenzonitrile
CID 66549292
7-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-7-azaspiro[3.5]nonane-2-carboxamide
CID 66550071
4-[2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-methoxybenzoic acid
CID 46915927
1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 133297208
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-chlorobenzonitrile
CID 79930031
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
CID 55256246
1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
CID 133304205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile?
The IUPAC name of 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile (CID 56838490) is 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile?
The canonical SMILES for 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile is N#Cc1ccc(N2N=C(N3CC(C(=O)N4CCC(O)CC4)C3)C[C@@H]2C2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile?
The InChIKey is JBGYEQSKNNTQHK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c25-21-11-19(6-5-17(21)13-26)30-22(16-3-1-2-4-16)12-23(27-30)29-14-18(15-29)24(32)28-9-7-20(31)8-10-28/h5-6,11,16,18,20,22,31H,1-4,7-10,12,14-15H2/t22-/m1/s1.
What are the key properties of 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile?
2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile has a molecular weight of 455.99 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile is sourced from PubChem (CID 56838490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).