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

C8H11F3N2O — CID 172593180

IUPAC[3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCCc1nn(C)c(C(F)(F)F)c1CO
InChIInChI=1S/C8H11F3N2O/c1-3-6-5(4-14)7(8(9,10)11)13(2)12-6/h14H,3-4H2,1-2H3
InChIKeyMHYHSNLPACJJGH-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.49
Rot. Bonds2

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

[3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 172593180) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID172593180
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name[3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCCc1nn(C)c(C(F)(F)F)c1CO
InChIInChI=1S/C8H11F3N2O/c1-3-6-5(4-14)7(8(9,10)11)13(2)12-6/h14H,3-4H2,1-2H3
InChIKeyMHYHSNLPACJJGH-UHFFFAOYSA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 172593180) is [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is CCc1nn(C)c(C(F)(F)F)c1CO.
What is the InChIKey of [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is MHYHSNLPACJJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-6-5(4-14)7(8(9,10)11)13(2)12-6/h14H,3-4H2,1-2H3.
What are the key properties of [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 208.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 172593180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).