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

C11H17F3N2O — CID 110006297

IUPAC2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCC(C)CCn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O/c1-8(2)3-5-16-7-9(4-6-17)10(15-16)11(12,13)14/h7-8,17H,3-6H2,1-2H3
InChIKeyHVGKNDWBCQUVJR-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.48
Rot. Bonds5

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

2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 110006297) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID110006297
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCC(C)CCn1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N2O/c1-8(2)3-5-16-7-9(4-6-17)10(15-16)11(12,13)14/h7-8,17H,3-6H2,1-2H3
InChIKeyHVGKNDWBCQUVJR-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-1-methyl-1H-pyrazol-3-yl)methanol
CID 105422553
(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
2-[1-Cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 75484875
[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787486
2-[1-Pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
(1-isobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 58020550
2-[4-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514749
[1-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid
CID 66937810
[1-(2-hydroxyethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid
CID 66937924
2-(1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)acetic acid
CID 70817370
2-(1-Isopropyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)acetic acid
CID 70817737

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 110006297) is 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol is CC(C)CCn1cc(CCO)c(C(F)(F)F)n1.
What is the InChIKey of 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is HVGKNDWBCQUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(2)3-5-16-7-9(4-6-17)10(15-16)11(12,13)14/h7-8,17H,3-6H2,1-2H3.
What are the key properties of 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 250.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 110006297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).