4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol

C7H9F3N2O — CID 119053743

IUPAC4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol
SMILESOCCC(n1cccn1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(2-5-13)12-4-1-3-11-12/h1,3-4,6,13H,2,5H2
InChIKeyOOJOUKXTTSPDFD-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.37
Rot. Bonds3

About 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol

4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol (PubChem CID 119053743) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol
PubChem CID119053743
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol
SMILESOCCC(n1cccn1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(2-5-13)12-4-1-3-11-12/h1,3-4,6,13H,2,5H2
InChIKeyOOJOUKXTTSPDFD-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-(triazol-2-yl)butan-1-ol
CID 170769916
pyrazol-1-yl(sulfanyl)methanol
CID 145194827
N-(4-hydroxybutan-2-yl)-2-pyrazol-1-ylpropanamide
CID 81047310
4,4-dimethyl-3-pyrazol-1-ylpentanoic acid
CID 166660871
1-[di(pyrazol-1-yl)methyl]pyrazole
CID 5243808
2-methylpropane;1-propan-2-ylpyrazole
CID 159283951
(3S)-4,4,4-trifluoro-N-(3-methylsulfonylthiophen-2-yl)-3-pyrazol-1-ylbutanamide
CID 164640387
4,4-difluoro-3-pyrazol-1-ylbutanoic acid
CID 121435652
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863
1-butan-2-ylpyrazole;ethane
CID 170732307
ethane;2-methylpropane;1-propan-2-ylpyrazole
CID 158347512
1-(1,2,2-trifluoroethyl)pyrazole
CID 175260687

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol (CID 119053743) is 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol is OCCC(n1cccn1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol?
The InChIKey is OOJOUKXTTSPDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)6(2-5-13)12-4-1-3-11-12/h1,3-4,6,13H,2,5H2.
What are the key properties of 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol?
4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol has a molecular weight of 194.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-pyrazol-1-ylbutan-1-ol is sourced from PubChem (CID 119053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).