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

C32H23F5N4O — CID 118708196

IUPAC4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
SMILESCc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1C1CC(c2ccc(F)cc2)=NN1c1ccc(F)cc1
InChIInChI=1S/C32H23F5N4O/c1-20-30(29-19-28(21-10-12-23(33)13-11-21)39-40(29)26-16-14-24(34)15-17-26)31(41(38-20)25-7-3-2-4-8-25)42-27-9-5-6-22(18-27)32(35,36)37/h2-18,29H,19H2,1H3
InChIKeyGFMZMQLQLYPKOD-UHFFFAOYSA-N
MW574.55 g/mol
LogP8.63
Rot. Bonds6

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

4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole (PubChem CID 118708196) has the molecular formula C32H23F5N4O and a molecular weight of 574.55 g/mol. Its IUPAC name is 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole.

Molecular Properties

Compound Name4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
PubChem CID118708196
Molecular FormulaC32H23F5N4O
Molecular Weight574.55 g/mol
Exact Mass574.18
IUPAC Name4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
SMILESCc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1C1CC(c2ccc(F)cc2)=NN1c1ccc(F)cc1
InChIInChI=1S/C32H23F5N4O/c1-20-30(29-19-28(21-10-12-23(33)13-11-21)39-40(29)26-16-14-24(34)15-17-26)31(41(38-20)25-7-3-2-4-8-25)42-27-9-5-6-22(18-27)32(35,36)37/h2-18,29H,19H2,1H3
InChIKeyGFMZMQLQLYPKOD-UHFFFAOYSA-N
XLogP8.63
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2,5-bis(4-fluorophenyl)-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

Related Compounds

3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
1-(4-trifluoromethoxyphenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11261258
3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1-(4-methylphenyl)-5-phenyl-1H-pyrazole
CID 11317417
3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1-(4-fluorophenyl)-5-phenyl-1H-pyrazole
CID 11442938
3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-1,5-diphenyl-1H-pyrazole
CID 11487950
6-amino-3-methyl-4-(3-phenoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 66552655
4-[5-(4-Fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 71600594
4-[2-(4-Bromophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-5-(3-fluorophenoxy)-3-methyl-1-phenyl-pyrazole
CID 118708197
5-(3-Fluorophenoxy)-4-[5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-pyrazole
CID 118708198
4-[2,5-Bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-5-(3-fluorophenoxy)-3-methyl-1-phenyl-pyrazole
CID 118708199
4-[2-(4-Bromophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
CID 118708200
4-[5-(4-Fluorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole
CID 118708201

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
The IUPAC name of 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole (CID 118708196) is 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole.
What is the SMILES notation for 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
The canonical SMILES for 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole is Cc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1C1CC(c2ccc(F)cc2)=NN1c1ccc(F)cc1.
What is the InChIKey of 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
The InChIKey is GFMZMQLQLYPKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F5N4O/c1-20-30(29-19-28(21-10-12-23(33)13-11-21)39-40(29)26-16-14-24(34)15-17-26)31(41(38-20)25-7-3-2-4-8-25)42-27-9-5-6-22(18-27)32(35,36)37/h2-18,29H,19H2,1H3.
What are the key properties of 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole?
4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole has a molecular weight of 574.55 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-3-methyl-1-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazole is sourced from PubChem (CID 118708196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).