[1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol

C24H22F4N2O2 — CID 78041340

IUPAC[1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
SMILESCc1cc(C(F)=Cc2ccc(OC(F)(F)F)cc2)nn1Cc1cccc(C2(CO)CC2)c1
InChIInChI=1S/C24H22F4N2O2/c1-16-11-22(21(25)13-17-5-7-20(8-6-17)32-24(26,27)28)29-30(16)14-18-3-2-4-19(12-18)23(15-31)9-10-23/h2-8,11-13,31H,9-10,14-15H2,1H3
InChIKeyGRJHXHHXWYHBNV-UHFFFAOYSA-N
MW446.44 g/mol
LogP5.63
Rot. Bonds7

About [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol

[1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol (PubChem CID 78041340) has the molecular formula C24H22F4N2O2 and a molecular weight of 446.44 g/mol. Its IUPAC name is [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
PubChem CID78041340
Molecular FormulaC24H22F4N2O2
Molecular Weight446.44 g/mol
Exact Mass446.16
IUPAC Name[1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol
SMILESCc1cc(C(F)=Cc2ccc(OC(F)(F)F)cc2)nn1Cc1cccc(C2(CO)CC2)c1
InChIInChI=1S/C24H22F4N2O2/c1-16-11-22(21(25)13-17-5-7-20(8-6-17)32-24(26,27)28)29-30(16)14-18-3-2-4-19(12-18)23(15-31)9-10-23/h2-8,11-13,31H,9-10,14-15H2,1H3
InChIKeyGRJHXHHXWYHBNV-UHFFFAOYSA-N
XLogP5.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol 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 [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?
The IUPAC name of [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol (CID 78041340) is [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?
The canonical SMILES for [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol is Cc1cc(C(F)=Cc2ccc(OC(F)(F)F)cc2)nn1Cc1cccc(C2(CO)CC2)c1.
What is the InChIKey of [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?
The InChIKey is GRJHXHHXWYHBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O2/c1-16-11-22(21(25)13-17-5-7-20(8-6-17)32-24(26,27)28)29-30(16)14-18-3-2-4-19(12-18)23(15-31)9-10-23/h2-8,11-13,31H,9-10,14-15H2,1H3.
What are the key properties of [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol?
[1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol has a molecular weight of 446.44 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropyl]methanol is sourced from PubChem (CID 78041340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).