1-benzoyl-N-phenylpyrazole-3-carboxamide

C17H13N3O2 — CID 716930

IUPAC1-benzoyl-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21)
InChIKeyZYYMCOZRPAHLRN-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.82
Rot. Bonds3

About 1-benzoyl-N-phenylpyrazole-3-carboxamide

1-benzoyl-N-phenylpyrazole-3-carboxamide (PubChem CID 716930) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-benzoyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-phenylpyrazole-3-carboxamide
PubChem CID716930
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name1-benzoyl-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2)n1
InChIInChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21)
InChIKeyZYYMCOZRPAHLRN-UHFFFAOYSA-N
XLogP2.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-benzoyl-N-phenylpyrazole-3-carboxamide (CID 716930) is 1-benzoyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-phenylpyrazole-3-carboxamide is O=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2)n1.
What is the InChIKey of 1-benzoyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is ZYYMCOZRPAHLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16(18-14-9-5-2-6-10-14)15-11-12-20(19-15)17(22)13-7-3-1-4-8-13/h1-12H,(H,18,21).
What are the key properties of 1-benzoyl-N-phenylpyrazole-3-carboxamide?
1-benzoyl-N-phenylpyrazole-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 716930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).