2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol

C27H24N2O3 — CID 177249073

IUPAC2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
SMILESCOc1cc(OC)cc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccccc2)c1
InChIInChI=1S/C27H24N2O3/c1-31-21-14-19(15-22(16-21)32-2)26-17-25(28-29(26)20-9-4-3-5-10-20)24-13-12-18-8-6-7-11-23(18)27(24)30/h3-16,26,30H,17H2,1-2H3
InChIKeyLRWHSEJWVYKPLO-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.92
Rot. Bonds5

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

2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol (PubChem CID 177249073) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
PubChem CID177249073
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
SMILESCOc1cc(OC)cc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccccc2)c1
InChIInChI=1S/C27H24N2O3/c1-31-21-14-19(15-22(16-21)32-2)26-17-25(28-29(26)20-9-4-3-5-10-20)24-13-12-18-8-6-7-11-23(18)27(24)30/h3-16,26,30H,17H2,1-2H3
InChIKeyLRWHSEJWVYKPLO-UHFFFAOYSA-N
XLogP5.92
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
5-(1-hydroxynaphthalen-2-yl)-N,3-bis(3-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 136706217
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46185758
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 67335414
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
The IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol (CID 177249073) is 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
The canonical SMILES for 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol is COc1cc(OC)cc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccccc2)c1.
What is the InChIKey of 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
The InChIKey is LRWHSEJWVYKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-31-21-14-19(15-22(16-21)32-2)26-17-25(28-29(26)20-9-4-3-5-10-20)24-13-12-18-8-6-7-11-23(18)27(24)30/h3-16,26,30H,17H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol has a molecular weight of 424.50 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol is sourced from PubChem (CID 177249073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).