1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol

C29H28N2O5 — CID 177249154

IUPAC1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
SMILESCOc1ccccc1C1CC(c2c(O)ccc3ccccc23)=NN1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C29H28N2O5/c1-33-25-12-8-7-11-21(25)23-17-22(28-20-10-6-5-9-18(20)13-14-24(28)32)30-31(23)19-15-26(34-2)29(36-4)27(16-19)35-3/h5-16,23,32H,17H2,1-4H3
InChIKeyAIFCZFSCAYZRJU-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.94
Rot. Bonds7

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

1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol (PubChem CID 177249154) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
PubChem CID177249154
Molecular FormulaC29H28N2O5
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC Name1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
SMILESCOc1ccccc1C1CC(c2c(O)ccc3ccccc23)=NN1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C29H28N2O5/c1-33-25-12-8-7-11-21(25)23-17-22(28-20-10-6-5-9-18(20)13-14-24(28)32)30-31(23)19-15-26(34-2)29(36-4)27(16-19)35-3/h5-16,23,32H,17H2,1-4H3
InChIKeyAIFCZFSCAYZRJU-UHFFFAOYSA-N
XLogP5.94
TPSA72.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 177249115
1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 177249095
2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 102303760
1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-hydroxynaphthalen-1-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 136690179
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
4-hydroxy-3-[3-(2-hydroxy-3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 137242197
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
1-(2,5-dimethoxy-3,4-dimethylphenyl)naphthalen-2-ol
CID 15130773

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol (CID 177249154) is 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol is COc1ccccc1C1CC(c2c(O)ccc3ccccc23)=NN1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol?
The InChIKey is AIFCZFSCAYZRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c1-33-25-12-8-7-11-21(25)23-17-22(28-20-10-6-5-9-18(20)13-14-24(28)32)30-31(23)19-15-26(34-2)29(36-4)27(16-19)35-3/h5-16,23,32H,17H2,1-4H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol?
1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol has a molecular weight of 484.55 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol is sourced from PubChem (CID 177249154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).