(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol

C7H9F3N2O — CID 118260384

IUPAC(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(C[C@@H](O)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c1-5-2-11-12(3-5)4-6(13)7(8,9)10/h2-3,6,13H,4H2,1H3/t6-/m1/s1
InChIKeyKBKDUGVKVWHAFS-ZCFIWIBFSA-N
MW194.16 g/mol
LogP1.11
Rot. Bonds2

About (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol

(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol (PubChem CID 118260384) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
PubChem CID118260384
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(C[C@@H](O)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c1-5-2-11-12(3-5)4-6(13)7(8,9)10/h2-3,6,13H,4H2,1H3/t6-/m1/s1
InChIKeyKBKDUGVKVWHAFS-ZCFIWIBFSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 145015043
(2R)-1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 118259045
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
3,3,3-trifluoro-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 60872716
(4-methylpyrazol-1-yl)methanol
CID 7172181
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863
ethene;4-methyl-1-(2-methylbutyl)pyrazole
CID 143972453
(2R)-1,1,1-trifluoro-3-[4-(2-nitrophenyl)pyrazol-1-yl]propan-2-ol
CID 99705763
(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
CID 42574253
1-(2-ethylpentyl)-4-methylpyrazole
CID 171540355
2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
CID 60873678
N-ethyl-1-(4-methylpyrazol-1-yl)butan-2-amine
CID 62040383

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol (CID 118260384) is (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol is Cc1cnn(C[C@@H](O)C(F)(F)F)c1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The InChIKey is KBKDUGVKVWHAFS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-2-11-12(3-5)4-6(13)7(8,9)10/h2-3,6,13H,4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol has a molecular weight of 194.16 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 118260384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).