3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol

C30H30N2O6 — CID 177249115

IUPAC3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
SMILESCOc1cc(O)c(C2=NN(c3cc(OC)c(OC)c(OC)c3)C(c3cccc4ccccc34)C2)c(OC)c1
InChIInChI=1S/C30H30N2O6/c1-34-20-15-25(33)29(26(16-20)35-2)23-17-24(22-12-8-10-18-9-6-7-11-21(18)22)32(31-23)19-13-27(36-3)30(38-5)28(14-19)37-4/h6-16,24,33H,17H2,1-5H3
InChIKeyHVFRJLSFWDCNJV-UHFFFAOYSA-N
MW514.58 g/mol
LogP5.94
Rot. Bonds8

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

3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 177249115) has the molecular formula C30H30N2O6 and a molecular weight of 514.58 g/mol. Its IUPAC name is 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
PubChem CID177249115
Molecular FormulaC30H30N2O6
Molecular Weight514.58 g/mol
Exact Mass514.21
IUPAC Name3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
SMILESCOc1cc(O)c(C2=NN(c3cc(OC)c(OC)c(OC)c3)C(c3cccc4ccccc34)C2)c(OC)c1
InChIInChI=1S/C30H30N2O6/c1-34-20-15-25(33)29(26(16-20)35-2)23-17-24(22-12-8-10-18-9-6-7-11-21(18)22)32(31-23)19-13-27(36-3)30(38-5)28(14-19)37-4/h6-16,24,33H,17H2,1-5H3
InChIKeyHVFRJLSFWDCNJV-UHFFFAOYSA-N
XLogP5.94
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
CID 177249154
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194
3,5-dimethoxy-2-(2-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)phenol
CID 177454275
2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
CID 142924740
2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249073
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
5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 102303760
1-[5-naphthalen-1-yl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 53317054
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol (CID 177249115) is 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol is COc1cc(O)c(C2=NN(c3cc(OC)c(OC)c(OC)c3)C(c3cccc4ccccc34)C2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is HVFRJLSFWDCNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O6/c1-34-20-15-25(33)29(26(16-20)35-2)23-17-24(22-12-8-10-18-9-6-7-11-21(18)22)32(31-23)19-13-27(36-3)30(38-5)28(14-19)37-4/h6-16,24,33H,17H2,1-5H3.
What are the key properties of 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol?
3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 514.58 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 177249115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).