N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide

C25H22N4O3 — CID 137091077

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C)ccc1O
InChIInChI=1S/C25H22N4O3/c1-17-23(25(31)27-26-16-18-13-14-21(30)22(15-18)32-2)28-29(20-11-7-4-8-12-20)24(17)19-9-5-3-6-10-19/h3-16,30H,1-2H3,(H,27,31)/b26-16+
InChIKeyVUTWDTNPJGKDBX-WGOQTCKBSA-N
MW426.48 g/mol
LogP4.33
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide (PubChem CID 137091077) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide
PubChem CID137091077
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C)ccc1O
InChIInChI=1S/C25H22N4O3/c1-17-23(25(31)27-26-16-18-13-14-21(30)22(15-18)32-2)28-29(20-11-7-4-8-12-20)24(17)19-9-5-3-6-10-19/h3-16,30H,1-2H3,(H,27,31)/b26-16+
InChIKeyVUTWDTNPJGKDBX-WGOQTCKBSA-N
XLogP4.33
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3-Ethoxy-4-HO-benzylidene)-3-(3-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 135405834
5-(4-Fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 4775163
N'-[(E)-(3-Hydroxy-4-methoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6868891
N'-(3-hydroxy-4-methoxybenzylidene)-2-(3-methylphenyl)-4-quinolinecarbohydrazide
CID 6873420
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11825711
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]-3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazole-5-carbohydrazide
CID 135460575
3-(1-adamantyl)-N'-(4-hydroxy-3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135501774
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 135516997
(E)-N'-(4-hydroxy-3-methoxybenzylidene)-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 135517133
(E)-N'-(4-hydroxy-3-methoxybenzylidene)-2-phenylquinoline-4-carbohydrazide
CID 135555054
N'~2~,N'~6~-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]pyridine-2,6-dicarbohydrazide
CID 135650499
1-[(4-tert-butylphenyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 135951788

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide (CID 137091077) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide is COc1cc(/C=N/NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide?
The InChIKey is VUTWDTNPJGKDBX-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-23(25(31)27-26-16-18-13-14-21(30)22(15-18)32-2)28-29(20-11-7-4-8-12-20)24(17)19-9-5-3-6-10-19/h3-16,30H,1-2H3,(H,27,31)/b26-16+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,5-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 137091077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).