N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

C28H24N6O — CID 6105907

IUPACN-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C28H24N6O/c1-19-25(20(2)34(33-19)24-11-7-4-8-12-24)18-29-32-28(35)27-17-26(30-31-27)23-15-13-22(14-16-23)21-9-5-3-6-10-21/h3-18H,1-2H3,(H,30,31)(H,32,35)/b29-18-
InChIKeyFSRSRTZOHCYAMF-MIXAMLLLSA-N
MW460.54 g/mol
LogP5.31
Rot. Bonds6

About N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 6105907) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID6105907
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC NameN-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C28H24N6O/c1-19-25(20(2)34(33-19)24-11-7-4-8-12-24)18-29-32-28(35)27-17-26(30-31-27)23-15-13-22(14-16-23)21-9-5-3-6-10-21/h3-18H,1-2H3,(H,30,31)(H,32,35)/b29-18-
InChIKeyFSRSRTZOHCYAMF-MIXAMLLLSA-N
XLogP5.31
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.31
H-Bond Donors ≤ 52
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)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5450583
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6283922
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 6147438
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 17126791
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504163
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 16553512
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 6869533
N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869850
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]thiophene-2-carboxamide
CID 6880016
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (CID 6105907) is N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1.
What is the InChIKey of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FSRSRTZOHCYAMF-MIXAMLLLSA-N. The full InChI is InChI=1S/C28H24N6O/c1-19-25(20(2)34(33-19)24-11-7-4-8-12-24)18-29-32-28(35)27-17-26(30-31-27)23-15-13-22(14-16-23)21-9-5-3-6-10-21/h3-18H,1-2H3,(H,30,31)(H,32,35)/b29-18-.
What are the key properties of N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6105907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).