1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol

C8H11F3N2O — CID 112670830

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCc1nn(C)cc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-6-5(4-13(2)12-6)7(14)8(9,10)11/h4,7,14H,3H2,1-2H3
InChIKeyJYHZVUXHHHHDBP-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.58
Rot. Bonds2

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol

1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol (PubChem CID 112670830) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
PubChem CID112670830
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
SMILESCCc1nn(C)cc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-6-5(4-13(2)12-6)7(14)8(9,10)11/h4,7,14H,3H2,1-2H3
InChIKeyJYHZVUXHHHHDBP-UHFFFAOYSA-N
XLogP1.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 119031793
(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
[5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 66437455
(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(1S)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154832493
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-ol
CID 165723508
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500665
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol (CID 112670830) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol is CCc1nn(C)cc1C(O)C(F)(F)F.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is JYHZVUXHHHHDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-6-5(4-13(2)12-6)7(14)8(9,10)11/h4,7,14H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol?
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 208.18 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 112670830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).