4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole

C33H26F4N4O2 — CID 118708201

IUPAC4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
SMILESCOc1ccc(N2N=C(c3ccc(F)cc3)CC2c2c(C)nn(-c3ccccc3)c2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C33H26F4N4O2/c1-21-31(30-20-29(22-11-13-24(34)14-12-22)39-40(30)26-15-17-27(42-2)18-16-26)32(41(38-21)25-8-4-3-5-9-25)43-28-10-6-7-23(19-28)33(35,36)37/h3-19,30H,20H2,1-2H3
InChIKeyBLGMAZSJNOPPMQ-UHFFFAOYSA-N
MW586.59 g/mol
LogP8.50
Rot. Bonds7

About 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole

4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole (PubChem CID 118708201) has the molecular formula C33H26F4N4O2 and a molecular weight of 586.59 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
PubChem CID118708201
Molecular FormulaC33H26F4N4O2
Molecular Weight586.59 g/mol
Exact Mass586.20
IUPAC Name4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
SMILESCOc1ccc(N2N=C(c3ccc(F)cc3)CC2c2c(C)nn(-c3ccccc3)c2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C33H26F4N4O2/c1-21-31(30-20-29(22-11-13-24(34)14-12-22)39-40(30)26-15-17-27(42-2)18-16-26)32(41(38-21)25-8-4-3-5-9-25)43-28-10-6-7-23(19-28)33(35,36)37/h3-19,30H,20H2,1-2H3
InChIKeyBLGMAZSJNOPPMQ-UHFFFAOYSA-N
XLogP8.50
TPSA51.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.59
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole (CID 118708201) is 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole is COc1ccc(N2N=C(c3ccc(F)cc3)CC2c2c(C)nn(-c3ccccc3)c2Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
The InChIKey is BLGMAZSJNOPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F4N4O2/c1-21-31(30-20-29(22-11-13-24(34)14-12-22)39-40(30)26-15-17-27(42-2)18-16-26)32(41(38-21)25-8-4-3-5-9-25)43-28-10-6-7-23(19-28)33(35,36)37/h3-19,30H,20H2,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole has a molecular weight of 586.59 g/mol, XLogP of 8.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole is sourced from PubChem (CID 118708201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).