2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C13H16N4O4 — CID 61019036

IUPAC2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C13H16N4O4/c18-11-3-8(5-17(11)10-1-2-10)13(21)15-9-4-14-16(6-9)7-12(19)20/h4,6,8,10H,1-3,5,7H2,(H,15,21)(H,19,20)
InChIKeyYEDDKOIFQVAXFJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.08
Rot. Bonds5

About 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61019036) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61019036
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CC(=O)N(C3CC3)C2)cn1
InChIInChI=1S/C13H16N4O4/c18-11-3-8(5-17(11)10-1-2-10)13(21)15-9-4-14-16(6-9)7-12(19)20/h4,6,8,10H,1-3,5,7H2,(H,15,21)(H,19,20)
InChIKeyYEDDKOIFQVAXFJ-UHFFFAOYSA-N
XLogP-0.08
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55983153
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 83192588
1-cyclopropyl-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429776
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146122980
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 96997575
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704
1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 75401892

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 61019036) is 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)C2CC(=O)N(C3CC3)C2)cn1.
What is the InChIKey of 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is YEDDKOIFQVAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c18-11-3-8(5-17(11)10-1-2-10)13(21)15-9-4-14-16(6-9)7-12(19)20/h4,6,8,10H,1-3,5,7H2,(H,15,21)(H,19,20).
What are the key properties of 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 292.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61019036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).