3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol

C7H9F3N2O — CID 2763521

IUPAC3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6-5(2-1-3-13)4-11-12-6/h4,13H,1-3H2,(H,11,12)
InChIKeyMAJMCQXRRMHIEJ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.35
Rot. Bonds3

About 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol

3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol (PubChem CID 2763521) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
PubChem CID2763521
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6-5(2-1-3-13)4-11-12-6/h4,13H,1-3H2,(H,11,12)
InChIKeyMAJMCQXRRMHIEJ-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol (CID 2763521) is 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol is OCCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
The InChIKey is MAJMCQXRRMHIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)6-5(2-1-3-13)4-11-12-6/h4,13H,1-3H2,(H,11,12).
What are the key properties of 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol?
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol has a molecular weight of 194.16 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 2763521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).