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

C28H26N2O4 — CID 177249194

IUPAC4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
SMILESCOc1cccc(N2N=C(c3cc(OC)c(OC)cc3O)CC2c2cccc3ccccc23)c1
InChIInChI=1S/C28H26N2O4/c1-32-20-11-7-10-19(14-20)30-25(22-13-6-9-18-8-4-5-12-21(18)22)16-24(29-30)23-15-27(33-2)28(34-3)17-26(23)31/h4-15,17,25,31H,16H2,1-3H3
InChIKeyKIOMDGULXPRNDP-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.93
Rot. Bonds6

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

4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 177249194) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
PubChem CID177249194
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
SMILESCOc1cccc(N2N=C(c3cc(OC)c(OC)cc3O)CC2c2cccc3ccccc23)c1
InChIInChI=1S/C28H26N2O4/c1-32-20-11-7-10-19(14-20)30-25(22-13-6-9-18-8-4-5-12-21(18)22)16-24(29-30)23-15-27(33-2)28(34-3)17-26(23)31/h4-15,17,25,31H,16H2,1-3H3
InChIKeyKIOMDGULXPRNDP-UHFFFAOYSA-N
XLogP5.93
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742283
1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
CID 177249154
2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249073
4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742266
2-[(5S,10bS)-7-methoxy-5-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol
CID 136878141
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 102303760
(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7453217
4-[(3R)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182128
4-[(3S)-3-naphthalen-1-yl-5-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 7182127

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol (CID 177249194) is 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol is COc1cccc(N2N=C(c3cc(OC)c(OC)cc3O)CC2c2cccc3ccccc23)c1.
What is the InChIKey of 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is KIOMDGULXPRNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-32-20-11-7-10-19(14-20)30-25(22-13-6-9-18-8-4-5-12-21(18)22)16-24(29-30)23-15-27(33-2)28(34-3)17-26(23)31/h4-15,17,25,31H,16H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol?
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 454.53 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 177249194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).