2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol

C7H9F3N2O — CID 58230786

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-6(2,13)4-3-11-12-5(4)7(8,9)10/h3,13H,1-2H3,(H,11,12)
InChIKeyXSXAXEAEHSKMCS-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.66
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol

2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol (PubChem CID 58230786) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
PubChem CID58230786
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-6(2,13)4-3-11-12-5(4)7(8,9)10/h3,13H,1-2H3,(H,11,12)
InChIKeyXSXAXEAEHSKMCS-UHFFFAOYSA-N
XLogP1.66
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Trifluoromethyl-1H-pyrazol-4-yl)methanol
CID 59520494
2-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 70818131
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
CID 163565993
CID 163565993
2-(4-fluoro-1H-pyrazol-5-yl)propan-2-ol
CID 169747343
2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
CID 175925910
2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82400680
1,1,1,3,3,3-Hexafluoro-2-(5-methyl-1h-pyrazol-4-yl)propan-2-ol
CID 83384965
(1S)-2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 95935056
(1R)-2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 95935057
(1R)-3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96615620
(1S)-3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96615621

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol (CID 58230786) is 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol is CC(C)(O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol?
The InChIKey is XSXAXEAEHSKMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-6(2,13)4-3-11-12-5(4)7(8,9)10/h3,13H,1-2H3,(H,11,12).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol?
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol has a molecular weight of 194.16 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 58230786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).