3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C12H16N4O4 — CID 64523909

IUPAC3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)N1CC(C(=O)Nc2cc(C(=O)O)[nH]n2)CC1=O
InChIInChI=1S/C12H16N4O4/c1-6(2)16-5-7(3-10(16)17)11(18)13-9-4-8(12(19)20)14-15-9/h4,6-7H,3,5H2,1-2H3,(H,19,20)(H2,13,14,15,18)
InChIKeyQXJMHFRLFHLBKL-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.30
Rot. Bonds4

About 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64523909) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64523909
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)N1CC(C(=O)Nc2cc(C(=O)O)[nH]n2)CC1=O
InChIInChI=1S/C12H16N4O4/c1-6(2)16-5-7(3-10(16)17)11(18)13-9-4-8(12(19)20)14-15-9/h4,6-7H,3,5H2,1-2H3,(H,19,20)(H2,13,14,15,18)
InChIKeyQXJMHFRLFHLBKL-UHFFFAOYSA-N
XLogP0.30
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 115589946
5-oxo-1-propan-2-yl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429829
(3S)-N-(2,4-dibromophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1284893
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
dimethyl 5-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 55604851
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 43355333
(3R)-N-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 95287370
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401209
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64523909) is 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is CC(C)N1CC(C(=O)Nc2cc(C(=O)O)[nH]n2)CC1=O.
What is the InChIKey of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is QXJMHFRLFHLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-6(2)16-5-7(3-10(16)17)11(18)13-9-4-8(12(19)20)14-15-9/h4,6-7H,3,5H2,1-2H3,(H,19,20)(H2,13,14,15,18).
What are the key properties of 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64523909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).