5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

C9H12N4O2 — CID 78983105

IUPAC5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2ccn[nH]2)CN1
InChIInChI=1S/C9H12N4O2/c14-8-3-6(4-10-8)9(15)11-5-7-1-2-12-13-7/h1-2,6H,3-5H2,(H,10,14)(H,11,15)(H,12,13)
InChIKeyWEFUIGANYZIRGM-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.84
Rot. Bonds3

About 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 78983105) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID78983105
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2ccn[nH]2)CN1
InChIInChI=1S/C9H12N4O2/c14-8-3-6(4-10-8)9(15)11-5-7-1-2-12-13-7/h1-2,6H,3-5H2,(H,10,14)(H,11,15)(H,12,13)
InChIKeyWEFUIGANYZIRGM-UHFFFAOYSA-N
XLogP-0.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 94916818
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61283327
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
N-[(6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983299
5-oxo-N-(2H-tetrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78954241
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 78983105) is 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)NCc2ccn[nH]2)CN1.
What is the InChIKey of 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WEFUIGANYZIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-3-6(4-10-8)9(15)11-5-7-1-2-12-13-7/h1-2,6H,3-5H2,(H,10,14)(H,11,15)(H,12,13).
What are the key properties of 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78983105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).