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

C7H9F3N2O — CID 63961178

IUPAC3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1C(O)CC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-5(2-3-11-12)6(13)4-7(8,9)10/h2-3,6,13H,4H2,1H3
InChIKeyKAUGTIPMYBVQJL-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.41
Rot. Bonds2

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

3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 63961178) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID63961178
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1C(O)CC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-5(2-3-11-12)6(13)4-7(8,9)10/h2-3,6,13H,4H2,1H3
InChIKeyKAUGTIPMYBVQJL-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330304
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
1-(2-methylpyrazol-3-yl)-2-propan-2-ylsulfanylethanol
CID 65134458
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
3-ethyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 114554038
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
2-ethylsulfanyl-1-(2-methylpyrazol-3-yl)ethanol
CID 65131088
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269
5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105174485
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
CID 170825003

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol (CID 63961178) is 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1C(O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is KAUGTIPMYBVQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-12-5(2-3-11-12)6(13)4-7(8,9)10/h2-3,6,13H,4H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol?
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 194.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 63961178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).