N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide

C19H17N3O3 — CID 139443142

IUPACN-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)C1C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C19H17N3O3/c1-12-17(19(25)22(21-12)14-8-4-3-5-9-14)18(24)20-16-11-7-6-10-15(16)13(2)23/h3-11,17H,1-2H3,(H,20,24)
InChIKeyGZPGUKMJQODULX-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.87
Rot. Bonds4

About N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide

N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide (PubChem CID 139443142) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
PubChem CID139443142
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)C1C(=O)N(c2ccccc2)N=C1C
InChIInChI=1S/C19H17N3O3/c1-12-17(19(25)22(21-12)14-8-4-3-5-9-14)18(24)20-16-11-7-6-10-15(16)13(2)23/h3-11,17H,1-2H3,(H,20,24)
InChIKeyGZPGUKMJQODULX-UHFFFAOYSA-N
XLogP2.87
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide (CID 139443142) is N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide is CC(=O)c1ccccc1NC(=O)C1C(=O)N(c2ccccc2)N=C1C.
What is the InChIKey of N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
The InChIKey is GZPGUKMJQODULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-17(19(25)22(21-12)14-8-4-3-5-9-14)18(24)20-16-11-7-6-10-15(16)13(2)23/h3-11,17H,1-2H3,(H,20,24).
What are the key properties of N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide?
N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide is sourced from PubChem (CID 139443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).