2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C13H11F5N2O — CID 110019055

IUPAC2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2c(F)cccc2F)nc1C(F)(F)F
InChIInChI=1S/C13H11F5N2O/c14-10-2-1-3-11(15)9(10)7-20-6-8(4-5-21)12(19-20)13(16,17)18/h1-3,6,21H,4-5,7H2
InChIKeyGLMDPGLPBQNCEK-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 110019055) has the molecular formula C13H11F5N2O and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID110019055
Molecular FormulaC13H11F5N2O
Molecular Weight306.23 g/mol
Exact Mass306.08
IUPAC Name2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2c(F)cccc2F)nc1C(F)(F)F
InChIInChI=1S/C13H11F5N2O/c14-10-2-1-3-11(15)9(10)7-20-6-8(4-5-21)12(19-20)13(16,17)18/h1-3,6,21H,4-5,7H2
InChIKeyGLMDPGLPBQNCEK-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006291
2-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86815616
2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006327
2-[1-pentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006317
3-[1-(quinolin-8-ylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006229
2-[1-pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
3-[1-[(6-propan-2-yl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006261
2-[1-(2-ethylsulfanylethyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 86814697
2-[1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006274
N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 110006390
2-[1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110006370
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99819881

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 110019055) is 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is OCCc1cn(Cc2c(F)cccc2F)nc1C(F)(F)F.
What is the InChIKey of 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is GLMDPGLPBQNCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N2O/c14-10-2-1-3-11(15)9(10)7-20-6-8(4-5-21)12(19-20)13(16,17)18/h1-3,6,21H,4-5,7H2.
What are the key properties of 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 306.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 110019055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).