2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide

C23H22ClF3N4O — CID 69193932

IUPAC2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(c1cccc(-c2cn[nH]c2)c1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C23H22ClF3N4O/c24-20-17(7-4-8-18(20)23(25,26)27)22(32)31-21(19-9-1-2-10-28-19)15-6-3-5-14(11-15)16-12-29-30-13-16/h3-8,11-13,19,21,28H,1-2,9-10H2,(H,29,30)(H,31,32)/t19-,21?/m0/s1
InChIKeyPCWBBTMGPCZBSC-ZQRQZVKFSA-N
MW462.90 g/mol
LogP5.36
Rot. Bonds5

About 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 69193932) has the molecular formula C23H22ClF3N4O and a molecular weight of 462.90 g/mol. Its IUPAC name is 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID69193932
Molecular FormulaC23H22ClF3N4O
Molecular Weight462.90 g/mol
Exact Mass462.14
IUPAC Name2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NC(c1cccc(-c2cn[nH]c2)c1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C23H22ClF3N4O/c24-20-17(7-4-8-18(20)23(25,26)27)22(32)31-21(19-9-1-2-10-28-19)15-6-3-5-14(11-15)16-12-29-30-13-16/h3-8,11-13,19,21,28H,1-2,9-10H2,(H,29,30)(H,31,32)/t19-,21?/m0/s1
InChIKeyPCWBBTMGPCZBSC-ZQRQZVKFSA-N
XLogP5.36
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.90
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide 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

6-(3-aminopropyl)-4-(2-chlorophenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443546
N-[(1S)-2-amino-1-phenylethyl]-3-methyl-4-(1H-pyrazol-4-yl)benzamide
CID 90385104
N-[(2S)-1-(cyanomethylamino)-1-oxo-3-[3-(1H-pyrazol-4-yl)phenyl]propan-2-yl]benzamide
CID 45269361
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluoro-4-(1H-pyrazol-5-yl)benzamide;hydrochloride
CID 164617481
N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317975
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121318061
2-chloro-N-[4-[[[4-(4-chlorophenyl)-1H-pyrazol-5-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186799
2-chloro-N-[4-[[(4-phenyl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186844
[2-chloro-3-(trifluoromethyl)phenyl]-[5-methyl-3-(1H-pyrazol-5-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]methanone
CID 90409399
US10112937, Example 437
CID 90456100
US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperidyl)-2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 117868925
(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 163201243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide (CID 69193932) is 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide is O=C(NC(c1cccc(-c2cn[nH]c2)c1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PCWBBTMGPCZBSC-ZQRQZVKFSA-N. The full InChI is InChI=1S/C23H22ClF3N4O/c24-20-17(7-4-8-18(20)23(25,26)27)22(32)31-21(19-9-1-2-10-28-19)15-6-3-5-14(11-15)16-12-29-30-13-16/h3-8,11-13,19,21,28H,1-2,9-10H2,(H,29,30)(H,31,32)/t19-,21?/m0/s1.
What are the key properties of 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 462.90 g/mol, XLogP of 5.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2S)-piperidin-2-yl]-[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69193932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).