2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

C9H13F3N2O — CID 121213243

IUPAC2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CCO
InChIInChI=1S/C9H13F3N2O/c1-5(2)7-6(3-4-15)8(14-13-7)9(10,11)12/h5,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyZHMWWNIISZGCSO-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.09
Rot. Bonds3

About 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 121213243) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID121213243
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESCC(C)c1[nH]nc(C(F)(F)F)c1CCO
InChIInChI=1S/C9H13F3N2O/c1-5(2)7-6(3-4-15)8(14-13-7)9(10,11)12/h5,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyZHMWWNIISZGCSO-UHFFFAOYSA-N
XLogP2.09
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 12762342
1-(3,5-dimethyl-1H-pyrazol-4-yl)but-3-en-2-ol
CID 657555
3-(3, 5-dimethyl-1H-pyrazol-4-yl) propan-1-ol
CID 105430140
2-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propan-1-ol
CID 600761
4-Hydroxybutyl-3,5-bis-(tetrafluoroethyl)pyrazole
CID 129877153
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-ol
CID 55267984
(5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213173
(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213174
(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 121213175
1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 135304000
[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
CID 163425053
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-yl formate
CID 174421654

Frequently Asked Questions

What is the IUPAC name of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 121213243) is 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is CC(C)c1[nH]nc(C(F)(F)F)c1CCO.
What is the InChIKey of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is ZHMWWNIISZGCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-5(2)7-6(3-4-15)8(14-13-7)9(10,11)12/h5,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 222.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 121213243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).