[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

C9H13F3N2O — CID 58020550

IUPAC[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCC(C)Cn1cc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O/c1-6(2)3-14-4-7(5-15)8(13-14)9(10,11)12/h4,6,15H,3,5H2,1-2H3
InChIKeyIDYIWJFJVIWGQB-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.05
Rot. Bonds3

About [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 58020550) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID58020550
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCC(C)Cn1cc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O/c1-6(2)3-14-4-7(5-15)8(13-14)9(10,11)12/h4,6,15H,3,5H2,1-2H3
InChIKeyIDYIWJFJVIWGQB-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 58020550) is [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is CC(C)Cn1cc(CO)c(C(F)(F)F)n1.
What is the InChIKey of [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is IDYIWJFJVIWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(2)3-14-4-7(5-15)8(13-14)9(10,11)12/h4,6,15H,3,5H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 222.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 58020550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).