4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol

C7H9F3N2O — CID 165472297

IUPAC4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-1-6(13)5-3-11-12-4-5/h3-4,6,13H,1-2H2,(H,11,12)
InChIKeyJCBPOXGUSPAXSQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.79
Rot. Bonds3

About 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol

4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol (PubChem CID 165472297) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol
PubChem CID165472297
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)2-1-6(13)5-3-11-12-4-5/h3-4,6,13H,1-2H2,(H,11,12)
InChIKeyJCBPOXGUSPAXSQ-UHFFFAOYSA-N
XLogP1.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol (CID 165472297) is 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol is OC(CCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol?
The InChIKey is JCBPOXGUSPAXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)2-1-6(13)5-3-11-12-4-5/h3-4,6,13H,1-2H2,(H,11,12).
What are the key properties of 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol?
4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol has a molecular weight of 194.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1H-pyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 165472297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).