[5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

C9H13F3N2O2 — CID 66718612

IUPAC[5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESCC(C)OCc1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C9H13F3N2O2/c1-5(2)16-4-7-6(3-15)8(14-13-7)9(10,11)12/h5,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyUFZNOMHOOQVASI-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.85
Rot. Bonds4

About [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

[5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 66718612) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID66718612
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name[5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESCC(C)OCc1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C9H13F3N2O2/c1-5(2)16-4-7-6(3-15)8(14-13-7)9(10,11)12/h5,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyUFZNOMHOOQVASI-UHFFFAOYSA-N
XLogP1.85
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 66718612) is [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is CC(C)OCc1[nH]nc(C(F)(F)F)c1CO.
What is the InChIKey of [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is UFZNOMHOOQVASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-5(2)16-4-7-6(3-15)8(14-13-7)9(10,11)12/h5,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 238.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propan-2-yloxymethyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 66718612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).