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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Related Compounds

Feprazone
CID 35455
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-[(phenylamino)methylene]-
CID 107513
1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
N-Acetyl-1,2-diphenylhydrazine
CID 140901
Malonanilide
CID 69298
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
2,4-Dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-YL)methylene]-5-methyl-2-phenyl-3H-pyrazol-3-one
CID 1070531
(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
CID 354929
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-4-(phenylazo)-
CID 624132
1,2-Diphenyl-3,5-pyrazolidinedione
CID 17561
4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 1130374

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).