N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide

C24H20N4O2 — CID 177465478

IUPACN-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide
SMILESCC1=NN(c2ccccc2)C(=O)C1/C(=N/NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c1-17-21(24(30)28(27-17)20-15-9-4-10-16-20)22(18-11-5-2-6-12-18)25-26-23(29)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,26,29)/b25-22+
InChIKeyOYMDHVVRMFYQLY-YYDJUVGSSA-N
MW396.45 g/mol
LogP3.86
Rot. Bonds5

About N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide

N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide (PubChem CID 177465478) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide
PubChem CID177465478
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide
SMILESCC1=NN(c2ccccc2)C(=O)C1/C(=N/NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c1-17-21(24(30)28(27-17)20-15-9-4-10-16-20)22(18-11-5-2-6-12-18)25-26-23(29)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,26,29)/b25-22+
InChIKeyOYMDHVVRMFYQLY-YYDJUVGSSA-N
XLogP3.86
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-bromo-N-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide
CID 5211976
4-amino-N-[(Z)-[(3-fluorophenyl)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]amino]benzamide
CID 171982102
1-[(E)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-phenylthiourea
CID 6016789
1-[[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-prop-2-enylthiourea
CID 4049959
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
4-(2,2-dimethylpropanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 15787923
[(E)-1-[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]propylideneamino]thiourea
CID 27735780
(4S)-5-methyl-2-phenyl-4-(4-phenylbenzoyl)-4H-pyrazol-3-one
CID 1380485
(4R)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577604
4-(2,2-diphenylacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 86205937
(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603
3-methyl-5-oxo-1-phenyl-N-pyridin-4-yl-4H-pyrazole-4-carboxamide
CID 139433268

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide?
The IUPAC name of N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide (CID 177465478) is N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide.
What is the SMILES notation for N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide?
The canonical SMILES for N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide is CC1=NN(c2ccccc2)C(=O)C1/C(=N/NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide?
The InChIKey is OYMDHVVRMFYQLY-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-17-21(24(30)28(27-17)20-15-9-4-10-16-20)22(18-11-5-2-6-12-18)25-26-23(29)19-13-7-3-8-14-19/h2-16,21H,1H3,(H,26,29)/b25-22+.
What are the key properties of N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide?
N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide has a molecular weight of 396.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]benzamide is sourced from PubChem (CID 177465478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).