(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C18H28N4O2 — CID 29086908

IUPAC(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)n(C2CCCCC2)n1
InChIInChI=1S/C18H28N4O2/c1-12(2)21-11-14(10-17(21)23)18(24)19-16-9-13(3)20-22(16)15-7-5-4-6-8-15/h9,12,14-15H,4-8,10-11H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyDNNAZIJBKQYCAC-AWEZNQCLSA-N
MW332.45 g/mol
LogP2.89
Rot. Bonds4

About (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 29086908) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID29086908
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)n(C2CCCCC2)n1
InChIInChI=1S/C18H28N4O2/c1-12(2)21-11-14(10-17(21)23)18(24)19-16-9-13(3)20-22(16)15-7-5-4-6-8-15/h9,12,14-15H,4-8,10-11H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyDNNAZIJBKQYCAC-AWEZNQCLSA-N
XLogP2.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
CID 39891309
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108756145
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55572745
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651
(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide
CID 125171891
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401209
(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 42110626
5-oxo-1-propan-2-yl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429829
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 29086908) is (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)n(C2CCCCC2)n1.
What is the InChIKey of (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DNNAZIJBKQYCAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(2)21-11-14(10-17(21)23)18(24)19-16-9-13(3)20-22(16)15-7-5-4-6-8-15/h9,12,14-15H,4-8,10-11H2,1-3H3,(H,19,24)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 29086908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).