(3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C22H28N4O2 — CID 89476547

IUPAC(3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C2CCCC2)c1
InChIInChI=1S/C22H28N4O2/c1-2-6-15-7-5-8-16(11-15)19-13-20(25-26(19)18-9-3-4-10-18)24-22(28)17-12-21(27)23-14-17/h5,7-8,11,13,17-18H,2-4,6,9-10,12,14H2,1H3,(H,23,27)(H,24,25,28)/t17-/m0/s1
InChIKeyICVXLGMSYJFMBC-KRWDZBQOSA-N
MW380.49 g/mol
LogP3.69
Rot. Bonds6

About (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476547) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476547
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C2CCCC2)c1
InChIInChI=1S/C22H28N4O2/c1-2-6-15-7-5-8-16(11-15)19-13-20(25-26(19)18-9-3-4-10-18)24-22(28)17-12-21(27)23-14-17/h5,7-8,11,13,17-18H,2-4,6,9-10,12,14H2,1H3,(H,23,27)(H,24,25,28)/t17-/m0/s1
InChIKeyICVXLGMSYJFMBC-KRWDZBQOSA-N
XLogP3.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-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 (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476547) is (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C2CCCC2)c1.
What is the InChIKey of (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ICVXLGMSYJFMBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-6-15-7-5-8-16(11-15)19-13-20(25-26(19)18-9-3-4-10-18)24-22(28)17-12-21(27)23-14-17/h5,7-8,11,13,17-18H,2-4,6,9-10,12,14H2,1H3,(H,23,27)(H,24,25,28)/t17-/m0/s1.
What are the key properties of (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).