2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol

C9H13F3N2O2 — CID 163646702

IUPAC2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)n1ncc(CO)c1C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-8(2,5-16)14-7(9(10,11)12)6(4-15)3-13-14/h3,15-16H,4-5H2,1-2H3
InChIKeyIIVCKBRARDYHMG-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.12
Rot. Bonds3

About 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol

2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 163646702) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID163646702
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)n1ncc(CO)c1C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-8(2,5-16)14-7(9(10,11)12)6(4-15)3-13-14/h3,15-16H,4-5H2,1-2H3
InChIKeyIIVCKBRARDYHMG-UHFFFAOYSA-N
XLogP1.12
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol (CID 163646702) is 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol is CC(C)(CO)n1ncc(CO)c1C(F)(F)F.
What is the InChIKey of 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is IIVCKBRARDYHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-8(2,5-16)14-7(9(10,11)12)6(4-15)3-13-14/h3,15-16H,4-5H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol?
2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 238.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 163646702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).