5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide

C17H15N3O2 — CID 2384714

IUPAC5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O2/c1-12-15(16(21)18-13-8-4-2-5-9-13)17(22)20(19-12)14-10-6-3-7-11-14/h2-11,19H,1H3,(H,18,21)
InChIKeyKQFQBELMHXWCIT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.73
Rot. Bonds3

About 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide

5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide (PubChem CID 2384714) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
PubChem CID2384714
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3O2/c1-12-15(16(21)18-13-8-4-2-5-9-13)17(22)20(19-12)14-10-6-3-7-11-14/h2-11,19H,1H3,(H,18,21)
InChIKeyKQFQBELMHXWCIT-UHFFFAOYSA-N
XLogP2.73
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide (CID 2384714) is 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide is Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
The InChIKey is KQFQBELMHXWCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-15(16(21)18-13-8-4-2-5-9-13)17(22)20(19-12)14-10-6-3-7-11-14/h2-11,19H,1H3,(H,18,21).
What are the key properties of 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 2384714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).