1,3-diphenylpyrazole-4-carboxamide

C16H13N3O — CID 882232

IUPAC1,3-diphenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H13N3O/c17-16(20)14-11-19(13-9-5-2-6-10-13)18-15(14)12-7-3-1-4-8-12/h1-11H,(H2,17,20)
InChIKeyDQXLTOJKQOBXHA-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.64
Rot. Bonds3

About 1,3-diphenylpyrazole-4-carboxamide

1,3-diphenylpyrazole-4-carboxamide (PubChem CID 882232) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenylpyrazole-4-carboxamide
PubChem CID882232
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1,3-diphenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H13N3O/c17-16(20)14-11-19(13-9-5-2-6-10-13)18-15(14)12-7-3-1-4-8-12/h1-11H,(H2,17,20)
InChIKeyDQXLTOJKQOBXHA-UHFFFAOYSA-N
XLogP2.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenylpyrazole-4-carboxamide (CID 882232) is 1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenylpyrazole-4-carboxamide is NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is DQXLTOJKQOBXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16(20)14-11-19(13-9-5-2-6-10-13)18-15(14)12-7-3-1-4-8-12/h1-11H,(H2,17,20).
What are the key properties of 1,3-diphenylpyrazole-4-carboxamide?
1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 882232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).