4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde

C26H20N2O — CID 7182128

IUPAC4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1
InChIInChI=1S/C26H20N2O/c29-18-19-13-15-22(16-14-19)28-26(17-25(27-28)21-8-2-1-3-9-21)24-12-6-10-20-7-4-5-11-23(20)24/h1-16,18,26H,17H2/t26-/m1/s1
InChIKeyDKZOVUXJUUZGJN-AREMUKBSSA-N
MW376.46 g/mol
LogP6.01
Rot. Bonds4

About 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde

4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (PubChem CID 7182128) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
PubChem CID7182128
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1
InChIInChI=1S/C26H20N2O/c29-18-19-13-15-22(16-14-19)28-26(17-25(27-28)21-8-2-1-3-9-21)24-12-6-10-20-7-4-5-11-23(20)24/h1-16,18,26H,17H2/t26-/m1/s1
InChIKeyDKZOVUXJUUZGJN-AREMUKBSSA-N
XLogP6.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.01
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-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The IUPAC name of 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (CID 7182128) is 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde is O=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The InChIKey is DKZOVUXJUUZGJN-AREMUKBSSA-N. The full InChI is InChI=1S/C26H20N2O/c29-18-19-13-15-22(16-14-19)28-26(17-25(27-28)21-8-2-1-3-9-21)24-12-6-10-20-7-4-5-11-23(20)24/h1-16,18,26H,17H2/t26-/m1/s1.
What are the key properties of 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde has a molecular weight of 376.46 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde is sourced from PubChem (CID 7182128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).