(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol

C6H7F3N2O — CID 124508863

IUPAC(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@@H](Cn1cccn1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5(12)4-11-3-1-2-10-11/h1-3,5,12H,4H2/t5-/m0/s1
InChIKeyAVVVVWXOVBGHKI-YFKPBYRVSA-N
MW180.13 g/mol
LogP0.81
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol

(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol (PubChem CID 124508863) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
PubChem CID124508863
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@@H](Cn1cccn1)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)5(12)4-11-3-1-2-10-11/h1-3,5,12H,4H2/t5-/m0/s1
InChIKeyAVVVVWXOVBGHKI-YFKPBYRVSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
CID 175133057
3-methyl-4-pyrazol-1-ylbutan-2-ol
CID 142163216
(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 118260384
(2R)-1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 118259045
(2R)-1-methoxy-3-pyrazol-1-ylpropan-2-ol
CID 131206814
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820
2-(pyrazol-1-ylmethyl)butan-1-ol
CID 142163209
2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
CID 114270884
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol (CID 124508863) is (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol is O[C@@H](Cn1cccn1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is AVVVVWXOVBGHKI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)5(12)4-11-3-1-2-10-11/h1-3,5,12H,4H2/t5-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol?
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 180.13 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 124508863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).