1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

C21H26N4O2 — CID 70721590

IUPAC1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H26N4O2/c1-23(14-16-7-2-5-10-19(16)25-12-6-11-22-25)21(27)17-13-20(26)24(15-17)18-8-3-4-9-18/h2,5-7,10-12,17-18H,3-4,8-9,13-15H2,1H3
InChIKeyGFHPAGQLFLGSAC-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.62
Rot. Bonds5

About 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 70721590) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID70721590
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H26N4O2/c1-23(14-16-7-2-5-10-19(16)25-12-6-11-22-25)21(27)17-13-20(26)24(15-17)18-8-3-4-9-18/h2,5-7,10-12,17-18H,3-4,8-9,13-15H2,1H3
InChIKeyGFHPAGQLFLGSAC-UHFFFAOYSA-N
XLogP2.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
(3R)-1-cyclopentyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95594183
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 91764030
1-(1,1-dioxothiolan-3-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43066223
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 70721590) is 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is CN(Cc1ccccc1-n1cccn1)C(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is GFHPAGQLFLGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23(14-16-7-2-5-10-19(16)25-12-6-11-22-25)21(27)17-13-20(26)24(15-17)18-8-3-4-9-18/h2,5-7,10-12,17-18H,3-4,8-9,13-15H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70721590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).