[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol

C7H9F3N2O — CID 50896820

IUPAC[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESCCn1nc(CO)cc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-12-6(7(8,9)10)3-5(4-13)11-12/h3,13H,2,4H2,1H3
InChIKeyIUAHWSVKZMNQJA-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.41
Rot. Bonds2

About [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol

[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (PubChem CID 50896820) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
PubChem CID50896820
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
SMILESCCn1nc(CO)cc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-2-12-6(7(8,9)10)3-5(4-13)11-12/h3,13H,2,4H2,1H3
InChIKeyIUAHWSVKZMNQJA-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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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol (CID 50896820) is [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is CCn1nc(CO)cc1C(F)(F)F.
What is the InChIKey of [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
The InChIKey is IUAHWSVKZMNQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-12-6(7(8,9)10)3-5(4-13)11-12/h3,13H,2,4H2,1H3.
What are the key properties of [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol?
[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol 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 [1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 50896820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).