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

C17H15N3O2 — CID 95169945

IUPAC3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)c(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-12-15(16(21)18-13-8-4-2-5-9-13)17(22)19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,21)(H,19,22)
InChIKeyUWWZFIGYYFSHAO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.73
Rot. Bonds3

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

3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide (PubChem CID 95169945) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
PubChem CID95169945
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)c(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-12-15(16(21)18-13-8-4-2-5-9-13)17(22)19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,21)(H,19,22)
InChIKeyUWWZFIGYYFSHAO-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

2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
4-(dimethylamino)-3-methyl-2-phenyl-1H-pyrazol-5-one
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1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
ethyl 3-[4-oxo-3-phenyl-5-(phenylcarbamoyl)-2H-triazol-1-ium-1-yl]propanoate
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N-(4-fluorophenyl)-2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-oxoacetamide
CID 2325093
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522838
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
3-methyl-2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyrazol-5-one
CID 135064098
6-hydroxy-2,4-dioxo-N-phenyl-1-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 66522790
1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide (CID 95169945) is 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2)c(=O)[nH]n1-c1ccccc1.
What is the InChIKey of 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
The InChIKey is UWWZFIGYYFSHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-15(16(21)18-13-8-4-2-5-9-13)17(22)19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide?
3-methyl-5-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 3-methyl-5-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95169945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).