(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide

C21H20N4O2 — CID 92627923

IUPAC(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H20N4O2/c26-20-12-17(15-24(20)14-16-6-2-1-3-7-16)21(27)23-18-8-4-9-19(13-18)25-11-5-10-22-25/h1-11,13,17H,12,14-15H2,(H,23,27)/t17-/m0/s1
InChIKeyQBGJVZYPOBYTII-KRWDZBQOSA-N
MW360.42 g/mol
LogP2.86
Rot. Bonds5

About (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide

(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 92627923) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID92627923
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C21H20N4O2/c26-20-12-17(15-24(20)14-16-6-2-1-3-7-16)21(27)23-18-8-4-9-19(13-18)25-11-5-10-22-25/h1-11,13,17H,12,14-15H2,(H,23,27)/t17-/m0/s1
InChIKeyQBGJVZYPOBYTII-KRWDZBQOSA-N
XLogP2.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-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

Related Compounds

(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39346774
1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529257
1-[(4-chlorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650919
(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29130415
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507284
3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 50928066
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 55765863
1-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24819833

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide (CID 92627923) is (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is QBGJVZYPOBYTII-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20-12-17(15-24(20)14-16-6-2-1-3-7-16)21(27)23-18-8-4-9-19(13-18)25-11-5-10-22-25/h1-11,13,17H,12,14-15H2,(H,23,27)/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide?
(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92627923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).