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

C26H24N4O — CID 6044027

IUPAC3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(-c4ccccc4)cc3)[nH]n2)cc1
InChIInChI=1S/C26H24N4O/c1-3-19-9-11-23(12-10-19)24-17-25(29-28-24)26(31)30-27-18(2)20-13-15-22(16-14-20)21-7-5-4-6-8-21/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b27-18-
InChIKeyLLBPMNXSXHZUQN-IMRQLAEWSA-N
MW408.51 g/mol
LogP5.46
Rot. Bonds6

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

3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6044027) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6044027
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(-c4ccccc4)cc3)[nH]n2)cc1
InChIInChI=1S/C26H24N4O/c1-3-19-9-11-23(12-10-19)24-17-25(29-28-24)26(31)30-27-18(2)20-13-15-22(16-14-20)21-7-5-4-6-8-21/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b27-18-
InChIKeyLLBPMNXSXHZUQN-IMRQLAEWSA-N
XLogP5.46
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.46
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

3-(4-ethylphenyl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 136808343
3-(4-ethylphenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686598
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
3-(4-fluorophenyl)-N-[(Z)-1-phenylethylideneamino]-1H-pyrazole-5-carboxamide
CID 6143430
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105906
3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6380303
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(3-phenylmethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3578463
3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 7326946
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46497922
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 6044027) is 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(-c4ccccc4)cc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is LLBPMNXSXHZUQN-IMRQLAEWSA-N. The full InChI is InChI=1S/C26H24N4O/c1-3-19-9-11-23(12-10-19)24-17-25(29-28-24)26(31)30-27-18(2)20-13-15-22(16-14-20)21-7-5-4-6-8-21/h4-17H,3H2,1-2H3,(H,28,29)(H,30,31)/b27-18-.
What are the key properties of 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6044027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).