5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide

C7H9N3O2 — CID 112513804

IUPAC5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H9N3O2/c1-2-3-8-7(12)5-4-6(11)10-9-5/h2,4H,1,3H2,(H,8,12)(H2,9,10,11)
InChIKeyGIGXRZJNHGLRSU-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.38
Rot. Bonds3

About 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide

5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513804) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513804
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H9N3O2/c1-2-3-8-7(12)5-4-6(11)10-9-5/h2,4H,1,3H2,(H,8,12)(H2,9,10,11)
InChIKeyGIGXRZJNHGLRSU-UHFFFAOYSA-N
XLogP-0.38
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide (CID 112513804) is 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide is C=CCNC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is GIGXRZJNHGLRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-3-8-7(12)5-4-6(11)10-9-5/h2,4H,1,3H2,(H,8,12)(H2,9,10,11).
What are the key properties of 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide?
5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-prop-2-enyl-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).