4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde

C22H18N2O — CID 2792090

IUPAC4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c25-16-17-11-13-20(14-12-17)24-22(19-9-5-2-6-10-19)15-21(23-24)18-7-3-1-4-8-18/h1-14,16,22H,15H2
InChIKeySQIBVJCFMCUNGG-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.85
Rot. Bonds4

About 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde

4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde (PubChem CID 2792090) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde
PubChem CID2792090
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde
SMILESO=Cc1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c25-16-17-11-13-20(14-12-17)24-22(19-9-5-2-6-10-19)15-21(23-24)18-7-3-1-4-8-18/h1-14,16,22H,15H2
InChIKeySQIBVJCFMCUNGG-UHFFFAOYSA-N
XLogP4.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde?
The IUPAC name of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde (CID 2792090) is 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde.
What is the SMILES notation for 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde?
The canonical SMILES for 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde is O=Cc1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde?
The InChIKey is SQIBVJCFMCUNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-16-17-11-13-20(14-12-17)24-22(19-9-5-2-6-10-19)15-21(23-24)18-7-3-1-4-8-18/h1-14,16,22H,15H2.
What are the key properties of 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde?
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde has a molecular weight of 326.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzaldehyde is sourced from PubChem (CID 2792090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).