5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide

C16H14N4O — CID 97036087

IUPAC5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C16H14N4O/c17-15-14(16(18)21)10-19-20(15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,17H2,(H2,18,21)
InChIKeyROWOUTSKCHGTKY-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.22
Rot. Bonds3

About 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide

5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide (PubChem CID 97036087) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
PubChem CID97036087
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C16H14N4O/c17-15-14(16(18)21)10-19-20(15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,17H2,(H2,18,21)
InChIKeyROWOUTSKCHGTKY-UHFFFAOYSA-N
XLogP2.22
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide (CID 97036087) is 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccc(-c3ccccc3)cc2)c1N.
What is the InChIKey of 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide?
The InChIKey is ROWOUTSKCHGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-15-14(16(18)21)10-19-20(15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,17H2,(H2,18,21).
What are the key properties of 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide?
5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-phenylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 97036087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).