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

C26H20N2O — CID 7182127

IUPAC4-[(3S)-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-/m0/s1
InChIKeyDKZOVUXJUUZGJN-SANMLTNESA-N
MW376.46 g/mol
LogP6.01
Rot. Bonds4

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

4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (PubChem CID 7182127) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
PubChem CID7182127
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name4-[(3S)-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-/m0/s1
InChIKeyDKZOVUXJUUZGJN-SANMLTNESA-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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Related Compounds

4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182128
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
4-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-3-naphthalen-2-yl-1-phenylpyrazole
CID 25321666
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-3-naphthalen-2-yl-1-phenylpyrazole
CID 3452431
N-[(E)-[4-(3-anthracen-9-yl-5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]benzamide
CID 5341702
(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7317499
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194
3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 101339035
2-[5-(2,5-dichlorothiophen-3-yl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 162624564
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The IUPAC name of 4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde (CID 7182127) is 4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[(3S)-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-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
The InChIKey is DKZOVUXJUUZGJN-SANMLTNESA-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-/m0/s1.
What are the key properties of 4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde?
4-[(3S)-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-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde is sourced from PubChem (CID 7182127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).