[1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol

C9H13F3N2O2 — CID 66718611

IUPAC[1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCC(C)Oc1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H13F3N2O2/c1-5(2)16-8-6(4-15)7(9(10,11)12)13-14(8)3/h5,15H,4H2,1-3H3
InChIKeyLUIOIVAUXIMWSF-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.72
Rot. Bonds3

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

[1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 66718611) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID66718611
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name[1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCC(C)Oc1c(CO)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H13F3N2O2/c1-5(2)16-8-6(4-15)7(9(10,11)12)13-14(8)3/h5,15H,4H2,1-3H3
InChIKeyLUIOIVAUXIMWSF-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 66718611) is [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol is CC(C)Oc1c(CO)c(C(F)(F)F)nn1C.
What is the InChIKey of [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is LUIOIVAUXIMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-5(2)16-8-6(4-15)7(9(10,11)12)13-14(8)3/h5,15H,4H2,1-3H3.
What are the key properties of [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 238.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-propan-2-yloxy-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66718611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).