1-(4-formylphenyl)pyrazole-3-carboxamide

C11H9N3O2 — CID 64781350

IUPAC1-(4-formylphenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H9N3O2/c12-11(16)10-5-6-14(13-10)9-3-1-8(7-15)2-4-9/h1-7H,(H2,12,16)
InChIKeyRDQWDYXIXBHKDI-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.78
Rot. Bonds3

About 1-(4-formylphenyl)pyrazole-3-carboxamide

1-(4-formylphenyl)pyrazole-3-carboxamide (PubChem CID 64781350) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-(4-formylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-formylphenyl)pyrazole-3-carboxamide
PubChem CID64781350
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name1-(4-formylphenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(C=O)cc2)n1
InChIInChI=1S/C11H9N3O2/c12-11(16)10-5-6-14(13-10)9-3-1-8(7-15)2-4-9/h1-7H,(H2,12,16)
InChIKeyRDQWDYXIXBHKDI-UHFFFAOYSA-N
XLogP0.78
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-formylphenyl)pyrazole-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 1-(4-formylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-formylphenyl)pyrazole-3-carboxamide (CID 64781350) is 1-(4-formylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-formylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-formylphenyl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(C=O)cc2)n1.
What is the InChIKey of 1-(4-formylphenyl)pyrazole-3-carboxamide?
The InChIKey is RDQWDYXIXBHKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-11(16)10-5-6-14(13-10)9-3-1-8(7-15)2-4-9/h1-7H,(H2,12,16).
What are the key properties of 1-(4-formylphenyl)pyrazole-3-carboxamide?
1-(4-formylphenyl)pyrazole-3-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64781350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).