5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide

C13H15N5O3 — CID 166394355

IUPAC5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(c3cc(=O)[nH][nH]3)C2)[nH]1
InChIInChI=1S/C13H15N5O3/c14-12(20)8-1-2-9(15-8)13(21)18-4-3-7(6-18)10-5-11(19)17-16-10/h1-2,5,7,15H,3-4,6H2,(H2,14,20)(H2,16,17,19)
InChIKeyBPGPLKZTLJAQAI-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.24
Rot. Bonds3

About 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide

5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide (PubChem CID 166394355) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide
PubChem CID166394355
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(c3cc(=O)[nH][nH]3)C2)[nH]1
InChIInChI=1S/C13H15N5O3/c14-12(20)8-1-2-9(15-8)13(21)18-4-3-7(6-18)10-5-11(19)17-16-10/h1-2,5,7,15H,3-4,6H2,(H2,14,20)(H2,16,17,19)
InChIKeyBPGPLKZTLJAQAI-UHFFFAOYSA-N
XLogP-0.24
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[3-(3-hydroxyprop-1-ynyl)benzoyl]pyrrolidin-3-yl]-1,2-dihydropyrazol-3-one
CID 166254949
7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 167752083
[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119411202
5-[1-(4-chloro-1H-pyrazole-5-carbonyl)azetidin-3-yl]-1,2-dihydropyrazol-3-one
CID 166301077
5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513810
6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 61297937
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
5-(piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513808
6-[1-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 155955636
6-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
CID 167899353
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide (CID 166394355) is 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCC(c3cc(=O)[nH][nH]3)C2)[nH]1.
What is the InChIKey of 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The InChIKey is BPGPLKZTLJAQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-12(20)8-1-2-9(15-8)13(21)18-4-3-7(6-18)10-5-11(19)17-16-10/h1-2,5,7,15H,3-4,6H2,(H2,14,20)(H2,16,17,19).
What are the key properties of 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide?
5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide has a molecular weight of 289.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166394355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).