3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol

C7H9F3N2O — CID 131141477

IUPAC3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
SMILESCc1nn(CC(F)(F)F)c(C)c1O
InChIInChI=1S/C7H9F3N2O/c1-4-6(13)5(2)12(11-4)3-7(8,9)10/h13H,3H2,1-2H3
InChIKeyAUTFYHCEEIQSNR-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.77
Rot. Bonds1

About 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol

3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol (PubChem CID 131141477) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
PubChem CID131141477
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
SMILESCc1nn(CC(F)(F)F)c(C)c1O
InChIInChI=1S/C7H9F3N2O/c1-4-6(13)5(2)12(11-4)3-7(8,9)10/h13H,3H2,1-2H3
InChIKeyAUTFYHCEEIQSNR-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol?
The IUPAC name of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol (CID 131141477) is 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol.
What is the SMILES notation for 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol?
The canonical SMILES for 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol is Cc1nn(CC(F)(F)F)c(C)c1O.
What is the InChIKey of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol?
The InChIKey is AUTFYHCEEIQSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4-6(13)5(2)12(11-4)3-7(8,9)10/h13H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol?
3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol has a molecular weight of 194.16 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol is sourced from PubChem (CID 131141477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).