N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide

C19H18N4O2 — CID 9058739

IUPACN-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide
SMILESCc1c(/C=N\NC(=O)c2ccccc2)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N4O2/c1-14-17(13-20-21-18(24)15-9-5-3-6-10-15)22(2)23(19(14)25)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,24)/b20-13-
InChIKeyGZXADGKQROIGRN-MOSHPQCFSA-N
MW334.38 g/mol
LogP2.25
Rot. Bonds4

About N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide

N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide (PubChem CID 9058739) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide
PubChem CID9058739
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide
SMILESCc1c(/C=N\NC(=O)c2ccccc2)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N4O2/c1-14-17(13-20-21-18(24)15-9-5-3-6-10-15)22(2)23(19(14)25)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,24)/b20-13-
InChIKeyGZXADGKQROIGRN-MOSHPQCFSA-N
XLogP2.25
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462315
1-(3-chloro-2-methylphenyl)-3-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]thiourea
CID 9316266
1,4-dimethyl-5-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]-2-phenylpyrazol-3-one
CID 9466397
N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
CID 4661141
[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]urea
CID 6267835
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-[(E)-(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzamide
CID 135432776
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
4-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 135579257
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 50856364
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 9073069

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide (CID 9058739) is N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide is Cc1c(/C=N\NC(=O)c2ccccc2)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide?
The InChIKey is GZXADGKQROIGRN-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-14-17(13-20-21-18(24)15-9-5-3-6-10-15)22(2)23(19(14)25)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,24)/b20-13-.
What are the key properties of N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide?
N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide has a molecular weight of 334.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 9058739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).