N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

C25H22N4O — CID 6116965

IUPACN-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(C)cc1
InChIInChI=1S/C25H22N4O/c1-17-8-10-19(11-9-17)18(2)26-29-25(30)24-16-23(27-28-24)22-14-12-21(13-15-22)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,27,28)(H,29,30)/b26-18-
InChIKeyYQNOUPWJVOGAEC-ITYLOYPMSA-N
MW394.48 g/mol
LogP5.21
Rot. Bonds5

About N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 6116965) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID6116965
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(C)cc1
InChIInChI=1S/C25H22N4O/c1-17-8-10-19(11-9-17)18(2)26-29-25(30)24-16-23(27-28-24)22-14-12-21(13-15-22)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,27,28)(H,29,30)/b26-18-
InChIKeyYQNOUPWJVOGAEC-ITYLOYPMSA-N
XLogP5.21
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135625926
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105906
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 5336811
3-(3-nitrophenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3778659
3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 7326946
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(4-fluorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1185508
3-(3-phenylmethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3578463

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (CID 6116965) is N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YQNOUPWJVOGAEC-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H22N4O/c1-17-8-10-19(11-9-17)18(2)26-29-25(30)24-16-23(27-28-24)22-14-12-21(13-15-22)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,27,28)(H,29,30)/b26-18-.
What are the key properties of N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6116965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).