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

C23H20N2O2 — CID 4609705

IUPAC4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
SMILESCOc1ccc(C2=NN(c3ccc(C=O)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H20N2O2/c1-27-21-13-9-18(10-14-21)22-15-23(19-5-3-2-4-6-19)25(24-22)20-11-7-17(16-26)8-12-20/h2-14,16,23H,15H2,1H3
InChIKeyZOJHEOXUAKSTAO-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.86
Rot. Bonds5

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

4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (PubChem CID 4609705) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
PubChem CID4609705
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
SMILESCOc1ccc(C2=NN(c3ccc(C=O)cc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H20N2O2/c1-27-21-13-9-18(10-14-21)22-15-23(19-5-3-2-4-6-19)25(24-22)20-11-7-17(16-26)8-12-20/h2-14,16,23H,15H2,1H3
InChIKeyZOJHEOXUAKSTAO-UHFFFAOYSA-N
XLogP4.86
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (CID 4609705) is 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde is COc1ccc(C2=NN(c3ccc(C=O)cc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The InChIKey is ZOJHEOXUAKSTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-21-13-9-18(10-14-21)22-15-23(19-5-3-2-4-6-19)25(24-22)20-11-7-17(16-26)8-12-20/h2-14,16,23H,15H2,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde has a molecular weight of 356.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde is sourced from PubChem (CID 4609705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).