N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

C26H24N4O4 — CID 5445416

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1
InChIInChI=1S/C26H24N4O4/c1-32-22-12-13-25(33-2)20(14-22)16-27-30-26(31)24-15-23(28-29-24)19-8-10-21(11-9-19)34-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16-
InChIKeySSNXDBRHYALUMU-YUMHPJSZSA-N
MW456.50 g/mol
LogP4.44
Rot. Bonds9

About N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 5445416) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID5445416
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1
InChIInChI=1S/C26H24N4O4/c1-32-22-12-13-25(33-2)20(14-22)16-27-30-26(31)24-15-23(28-29-24)19-8-10-21(11-9-19)34-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16-
InChIKeySSNXDBRHYALUMU-YUMHPJSZSA-N
XLogP4.44
TPSA97.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(2,5-dimethoxyphenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
CID 6888328
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135615774
3-(4-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4527834
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 6869510
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 6865551
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128449
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135641984
N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6167663
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185226
3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128473
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6263980
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 5445416) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(/C=N\NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SSNXDBRHYALUMU-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-32-22-12-13-25(33-2)20(14-22)16-27-30-26(31)24-15-23(28-29-24)19-8-10-21(11-9-19)34-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5445416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).