(3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

C15H24N4O2 — CID 95213566

IUPAC(3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O
InChIInChI=1S/C15H24N4O2/c1-11(2)9-19-10-13(6-14(19)20)15(21)18(3)5-4-12-7-16-17-8-12/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyHXLTYTWDXMMECT-ZDUSSCGKSA-N
MW292.38 g/mol
LogP0.92
Rot. Bonds6

About (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

(3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 95213566) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID95213566
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O
InChIInChI=1S/C15H24N4O2/c1-11(2)9-19-10-13(6-14(19)20)15(21)18(3)5-4-12-7-16-17-8-12/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyHXLTYTWDXMMECT-ZDUSSCGKSA-N
XLogP0.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-isobutyl-N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 50973302
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-methyl-5-oxo-N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 64054370
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103856082
[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676497
N,N-dimethyl-2-(1H-pyrazol-4-yl)acetamide
CID 91481797
N-ethyl-2-(1H-pyrazol-4-yl)acetamide
CID 140145173
1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone
CID 155764615
2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 158189270
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 169317861

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 95213566) is (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)N(C)CCc2cn[nH]c2)CC1=O.
What is the InChIKey of (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HXLTYTWDXMMECT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)9-19-10-13(6-14(19)20)15(21)18(3)5-4-12-7-16-17-8-12/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
(3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-(2-methylpropyl)-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95213566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).