1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol

C7H9F3N2O — CID 135304000

IUPAC1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
SMILESCc1c(C(F)(F)F)n[nH]c1C(C)O
InChIInChI=1S/C7H9F3N2O/c1-3-5(4(2)13)11-12-6(3)7(8,9)10/h4,13H,1-2H3,(H,11,12)
InChIKeyNFURBQRLBWRXLR-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.79
Rot. Bonds1

About 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol

1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol (PubChem CID 135304000) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
PubChem CID135304000
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
SMILESCc1c(C(F)(F)F)n[nH]c1C(C)O
InChIInChI=1S/C7H9F3N2O/c1-3-5(4(2)13)11-12-6(3)7(8,9)10/h4,13H,1-2H3,(H,11,12)
InChIKeyNFURBQRLBWRXLR-UHFFFAOYSA-N
XLogP1.79
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol (CID 135304000) is 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol is Cc1c(C(F)(F)F)n[nH]c1C(C)O.
What is the InChIKey of 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
The InChIKey is NFURBQRLBWRXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-3-5(4(2)13)11-12-6(3)7(8,9)10/h4,13H,1-2H3,(H,11,12).
What are the key properties of 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol?
1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol has a molecular weight of 194.16 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 135304000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).