N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide

C24H22N4O2 — CID 135473431

IUPACN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)c(O)c1
InChIInChI=1S/C24H22N4O2/c1-17-12-13-18(22(29)14-17)16-25-27-23(30)21-15-24(28-26-21,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,16,28-29H,15H2,1H3,(H,27,30)/b25-16+
InChIKeyZTQOSHKVUPVEBA-PCLIKHOPSA-N
MW398.47 g/mol
LogP3.44
Rot. Bonds5

About N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide

N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide (PubChem CID 135473431) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
PubChem CID135473431
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)c(O)c1
InChIInChI=1S/C24H22N4O2/c1-17-12-13-18(22(29)14-17)16-25-27-23(30)21-15-24(28-26-21,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,16,28-29H,15H2,1H3,(H,27,30)/b25-16+
InChIKeyZTQOSHKVUPVEBA-PCLIKHOPSA-N
XLogP3.44
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(2-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 267472
N'-[(1Z)-1-(3-hydroxyphenyl)ethylidene]biphenyl-4-carbohydrazide
CID 6081739
Benzilic acid N-(2-hydroxybenzylidene)hydrazide
CID 135509615
N'-[1-(2-hydroxyphenyl)ethylidene]-4-biphenylcarbohydrazide
CID 135472550
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-phenylbenzamide
CID 135685321
Salicylaldehyde p-t-Butylphenyl-acyl hydrazone
CID 135503599
N'-(2-hydroxy-5-methylbenzylidene)-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide
CID 135473430
4-tert-butyl-N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzamide
CID 136184468
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 136738625
N'-(2-methoxybenzylidene)-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carbohydrazide
CID 56642966
US11897867, Example 49
CID 137463235
4-t-Butyl-N'-(2-hydroxybenzylidene)benzohydrazide
CID 679101

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide (CID 135473431) is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide is Cc1ccc(/C=N/NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is ZTQOSHKVUPVEBA-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-12-13-18(22(29)14-17)16-25-27-23(30)21-15-24(28-26-21,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,16,28-29H,15H2,1H3,(H,27,30)/b25-16+.
What are the key properties of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide?
N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 135473431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).