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

C11H9N3O2 — CID 64780835

IUPAC1-(4-formylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C11H9N3O2/c12-11(16)9-5-13-14(6-9)10-3-1-8(7-15)2-4-10/h1-7H,(H2,12,16)
InChIKeyFIBHVABVIVJEQX-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.78
Rot. Bonds3

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

1-(4-formylphenyl)pyrazole-4-carboxamide (PubChem CID 64780835) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-(4-formylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-formylphenyl)pyrazole-4-carboxamide
PubChem CID64780835
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name1-(4-formylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C11H9N3O2/c12-11(16)9-5-13-14(6-9)10-3-1-8(7-15)2-4-10/h1-7H,(H2,12,16)
InChIKeyFIBHVABVIVJEQX-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-formylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-formylphenyl)pyrazole-4-carboxamide (CID 64780835) is 1-(4-formylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-formylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-formylphenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccc(C=O)cc2)c1.
What is the InChIKey of 1-(4-formylphenyl)pyrazole-4-carboxamide?
The InChIKey is FIBHVABVIVJEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-11(16)9-5-13-14(6-9)10-3-1-8(7-15)2-4-10/h1-7H,(H2,12,16).
What are the key properties of 1-(4-formylphenyl)pyrazole-4-carboxamide?
1-(4-formylphenyl)pyrazole-4-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-4-carboxamide is sourced from PubChem (CID 64780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).