1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide

C21H19ClN4O2 — CID 124861225

IUPAC1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2/c1-13-9-18(25-26(13)19-8-3-2-7-17(19)22)21(28)24-16-6-4-5-14(10-16)15-11-20(27)23-12-15/h2-10,15H,11-12H2,1H3,(H,23,27)(H,24,28)/t15-/m0/s1
InChIKeyGVSDHQPYVVXTGA-HNNXBMFYSA-N
MW394.86 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 124861225) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide
PubChem CID124861225
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2/c1-13-9-18(25-26(13)19-8-3-2-7-17(19)22)21(28)24-16-6-4-5-14(10-16)15-11-20(27)23-12-15/h2-10,15H,11-12H2,1H3,(H,23,27)(H,24,28)/t15-/m0/s1
InChIKeyGVSDHQPYVVXTGA-HNNXBMFYSA-N
XLogP3.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide (CID 124861225) is 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is GVSDHQPYVVXTGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13-9-18(25-26(13)19-8-3-2-7-17(19)22)21(28)24-16-6-4-5-14(10-16)15-11-20(27)23-12-15/h2-10,15H,11-12H2,1H3,(H,23,27)(H,24,28)/t15-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 124861225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).