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

C27H24N2O3 — CID 177249178

IUPAC2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
SMILESCOc1cccc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccccc2)c1OC
InChIInChI=1S/C27H24N2O3/c1-31-25-14-8-13-22(27(25)32-2)24-17-23(28-29(24)19-10-4-3-5-11-19)21-16-15-18-9-6-7-12-20(18)26(21)30/h3-16,24,30H,17H2,1-2H3
InChIKeyNSEARXFPAOOZAU-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.92
Rot. Bonds5

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

2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol (PubChem CID 177249178) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
PubChem CID177249178
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
SMILESCOc1cccc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccccc2)c1OC
InChIInChI=1S/C27H24N2O3/c1-31-25-14-8-13-22(27(25)32-2)24-17-23(28-29(24)19-10-4-3-5-11-19)21-16-15-18-9-6-7-12-20(18)26(21)30/h3-16,24,30H,17H2,1-2H3
InChIKeyNSEARXFPAOOZAU-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

3-(2,3-dimethoxyphenyl)-5-(1-hydroxynaphthalen-2-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 137123972
2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249073
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194
1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
CID 177249154
5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 102303760
3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 177249115
4-hydroxy-3-[3-(2-hydroxy-3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 137242197
2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3106181
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182127
4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182128
4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 162660957

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
The IUPAC name of 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol (CID 177249178) is 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
The canonical SMILES for 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol is COc1cccc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccccc2)c1OC.
What is the InChIKey of 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
The InChIKey is NSEARXFPAOOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-31-25-14-8-13-22(27(25)32-2)24-17-23(28-29(24)19-10-4-3-5-11-19)21-16-15-18-9-6-7-12-20(18)26(21)30/h3-16,24,30H,17H2,1-2H3.
What are the key properties of 2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol?
2-[3-(2,3-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-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol is sourced from PubChem (CID 177249178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).