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

C8H11F3N2O — CID 83675743

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-5(14)3-6-4-13(2)12-7(6)8(9,10)11/h4-5,14H,3H2,1-2H3
InChIKeyOTKMBYDRWIBIPL-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.36
Rot. Bonds2

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

1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol (PubChem CID 83675743) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
PubChem CID83675743
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
SMILESCC(O)Cc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-5(14)3-6-4-13(2)12-7(6)8(9,10)11/h4-5,14H,3H2,1-2H3
InChIKeyOTKMBYDRWIBIPL-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol (CID 83675743) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol is CC(O)Cc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
The InChIKey is OTKMBYDRWIBIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-5(14)3-6-4-13(2)12-7(6)8(9,10)11/h4-5,14H,3H2,1-2H3.
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol?
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol has a molecular weight of 208.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 83675743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).