N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide

C26H24N4O3 — CID 18269191

IUPACN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-3-33-23-15-14-19(16-24(23)32-2)17-27-28-26(31)22-18-30(21-12-8-5-9-13-21)29-25(22)20-10-6-4-7-11-20/h4-18H,3H2,1-2H3,(H,28,31)/b27-17+
InChIKeyHFWSHGYCBUQMII-WPWMEQJKSA-N
MW440.50 g/mol
LogP4.71
Rot. Bonds8

About N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide

N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 18269191) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID18269191
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C26H24N4O3/c1-3-33-23-15-14-19(16-24(23)32-2)17-27-28-26(31)22-18-30(21-12-8-5-9-13-21)29-25(22)20-10-6-4-7-11-20/h4-18H,3H2,1-2H3,(H,28,31)/b27-17+
InChIKeyHFWSHGYCBUQMII-WPWMEQJKSA-N
XLogP4.71
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
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)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 135794969
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 55352186
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
N-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
2-N,5-N-bis[(4-ethoxy-3-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 2853456
1,3-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]pyrazole-4-carboxamide
CID 7929589

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide (CID 18269191) is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is HFWSHGYCBUQMII-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-3-33-23-15-14-19(16-24(23)32-2)17-27-28-26(31)22-18-30(21-12-8-5-9-13-21)29-25(22)20-10-6-4-7-11-20/h4-18H,3H2,1-2H3,(H,28,31)/b27-17+.
What are the key properties of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide?
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 18269191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).