[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

C7H9F3N2O — CID 121213173

IUPAC[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESCCc1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C7H9F3N2O/c1-2-5-4(3-13)6(12-11-5)7(8,9)10/h13H,2-3H2,1H3,(H,11,12)
InChIKeyDNRBURPRAASZAL-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.48
Rot. Bonds2

About [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (PubChem CID 121213173) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
PubChem CID121213173
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
SMILESCCc1[nH]nc(C(F)(F)F)c1CO
InChIInChI=1S/C7H9F3N2O/c1-2-5-4(3-13)6(12-11-5)7(8,9)10/h13H,2-3H2,1H3,(H,11,12)
InChIKeyDNRBURPRAASZAL-UHFFFAOYSA-N
XLogP1.48
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol (CID 121213173) is [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is CCc1[nH]nc(C(F)(F)F)c1CO.
What is the InChIKey of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
The InChIKey is DNRBURPRAASZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-5-4(3-13)6(12-11-5)7(8,9)10/h13H,2-3H2,1H3,(H,11,12).
What are the key properties of [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol?
[5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol has a molecular weight of 194.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 121213173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).