3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C12H19F3N2O — CID 110006217

IUPAC3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(C)Cn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N2O/c1-3-9(2)7-17-8-10(5-4-6-18)11(16-17)12(13,14)15/h8-9,18H,3-7H2,1-2H3
InChIKeyDEFIVGYJCKWPJF-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.87
Rot. Bonds6

About 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol

3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 110006217) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID110006217
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(C)Cn1cc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N2O/c1-3-9(2)7-17-8-10(5-4-6-18)11(16-17)12(13,14)15/h8-9,18H,3-7H2,1-2H3
InChIKeyDEFIVGYJCKWPJF-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-Cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 75484875
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500665
2-[1-Pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 164637019
1-Propan-2-yl-4-propyl-3-(trifluoromethyl)pyrazole
CID 90162775
2-(1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethanol
CID 118344007
2-[5-(1,1-Difluoroethyl)-4-methylpyrazol-1-yl]ethanol
CID 123231287
1-Methyl-4-(3-methylheptan-4-yl)-3-(trifluoromethyl)pyrazole
CID 123746245
4-Butan-2-yl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134578340
3-(1,1-Difluoroethyl)-1,4-di(propan-2-yl)pyrazole
CID 137409435
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]-2-methylpentane-1,3-diol
CID 141407050
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-2-methylbutane-1,3-diol
CID 141407051

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 110006217) is 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is CCC(C)Cn1cc(CCCO)c(C(F)(F)F)n1.
What is the InChIKey of 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is DEFIVGYJCKWPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-3-9(2)7-17-8-10(5-4-6-18)11(16-17)12(13,14)15/h8-9,18H,3-7H2,1-2H3.
What are the key properties of 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 264.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 110006217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).