N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide

C29H24N4O2 — CID 4315527

About N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide

N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 4315527) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide
• PubChem CID: 4315527
• Molecular Formula: C29H24N4O2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.19
• IUPAC Name: N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide
• SMILES: O=C(NN=Cc1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1)c1ccccc1O
• InChI: InChI=1S/C29H24N4O2/c34-28-14-8-7-13-25(28)29(35)31-30-20-21-15-17-24(18-16-21)33-27(23-11-5-2-6-12-23)19-26(32-33)22-9-3-1-4-10-22/h1-18,20,27,34H,19H2,(H,31,35)
• InChIKey: CKQCZHLUQPRLIP-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 77.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide?

The IUPAC name of N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide (CID 4315527) is N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide.

What is the SMILES notation for N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide?

The canonical SMILES for N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1)c1ccccc1O.

What is the InChIKey of N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide?

The InChIKey is CKQCZHLUQPRLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c34-28-14-8-7-13-25(28)29(35)31-30-20-21-15-17-24(18-16-21)33-27(23-11-5-2-6-12-23)19-26(32-33)22-9-3-1-4-10-22/h1-18,20,27,34H,19H2,(H,31,35).

What are the key properties of N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide?

N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 460.54 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 4315527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).