1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole

C20H16F4N2O — CID 78041622

IUPAC1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole
SMILESCc1cc(C(F)=Cc2ccc(OC(F)(F)F)cc2)nn1Cc1ccccc1
InChIInChI=1S/C20H16F4N2O/c1-14-11-19(25-26(14)13-16-5-3-2-4-6-16)18(21)12-15-7-9-17(10-8-15)27-20(22,23)24/h2-12H,13H2,1H3
InChIKeyXBICHZZUKTVPQE-UHFFFAOYSA-N
MW376.35 g/mol
LogP5.61
Rot. Bonds5

About 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole

1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole (PubChem CID 78041622) has the molecular formula C20H16F4N2O and a molecular weight of 376.35 g/mol. Its IUPAC name is 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole
PubChem CID78041622
Molecular FormulaC20H16F4N2O
Molecular Weight376.35 g/mol
Exact Mass376.12
IUPAC Name1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole
SMILESCc1cc(C(F)=Cc2ccc(OC(F)(F)F)cc2)nn1Cc1ccccc1
InChIInChI=1S/C20H16F4N2O/c1-14-11-19(25-26(14)13-16-5-3-2-4-6-16)18(21)12-15-7-9-17(10-8-15)27-20(22,23)24/h2-12H,13H2,1H3
InChIKeyXBICHZZUKTVPQE-UHFFFAOYSA-N
XLogP5.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.35
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole 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

[1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
CID 78041340
1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]azetidin-3-ol
CID 78041627
(4-cyclopropylpiperazin-1-yl)-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]methanone
CID 78043728
[1-[3-[[3-[(Z)-1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
CID 71235239
1-[(3-bromophenyl)methyl]-3-[1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazole
CID 78043724
2-chloro-5-[[3-[1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine
CID 123894650
5-[[3-[1-fluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
CID 78043743
1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
5-[[3-[(Z)-1-fluoro-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
CID 71227421
1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol
CID 78043730
5-methyl-1-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 164577946
1-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]methyl]-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 164577935

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole?
The IUPAC name of 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole (CID 78041622) is 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole.
What is the SMILES notation for 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole?
The canonical SMILES for 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole is Cc1cc(C(F)=Cc2ccc(OC(F)(F)F)cc2)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole?
The InChIKey is XBICHZZUKTVPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O/c1-14-11-19(25-26(14)13-16-5-3-2-4-6-16)18(21)12-15-7-9-17(10-8-15)27-20(22,23)24/h2-12H,13H2,1H3.
What are the key properties of 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole?
1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole has a molecular weight of 376.35 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole is sourced from PubChem (CID 78041622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).