4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde

C23H20N2O — CID 3756212

IUPAC4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
SMILESCc1ccc(C2=NN(c3ccc(C=O)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H20N2O/c1-17-7-11-19(12-8-17)22-15-23(20-5-3-2-4-6-20)25(24-22)21-13-9-18(16-26)10-14-21/h2-14,16,23H,15H2,1H3
InChIKeyUOQNRDFUPLYMMC-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.16
Rot. Bonds4

About 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde

4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (PubChem CID 3756212) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
PubChem CID3756212
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
SMILESCc1ccc(C2=NN(c3ccc(C=O)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H20N2O/c1-17-7-11-19(12-8-17)22-15-23(20-5-3-2-4-6-20)25(24-22)21-13-9-18(16-26)10-14-21/h2-14,16,23H,15H2,1H3
InChIKeyUOQNRDFUPLYMMC-UHFFFAOYSA-N
XLogP5.16
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
N-[(Z)-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-4-methylbenzamide
CID 40911298
3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol
CID 3756039
2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
CID 43835715
4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182128
4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182127
(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7317499
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 7065243
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 40877279

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The IUPAC name of 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (CID 3756212) is 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde is Cc1ccc(C2=NN(c3ccc(C=O)cc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The InChIKey is UOQNRDFUPLYMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-7-11-19(12-8-17)22-15-23(20-5-3-2-4-6-20)25(24-22)21-13-9-18(16-26)10-14-21/h2-14,16,23H,15H2,1H3.
What are the key properties of 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde has a molecular weight of 340.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde is sourced from PubChem (CID 3756212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).