1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole

C8H11F3N2O — CID 118357733

IUPAC1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(COC)c(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O/c1-3-13-4-6(5-14-2)7(12-13)8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyHXJUWIHBRNREFB-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.07
Rot. Bonds3

About 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole

1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 118357733) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole
PubChem CID118357733
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(COC)c(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O/c1-3-13-4-6(5-14-2)7(12-13)8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyHXJUWIHBRNREFB-UHFFFAOYSA-N
XLogP2.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3-dimethyl-1H-pyrazol-4-yl)methanol
CID 949772
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 2807828
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methanol
CID 786252
[5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 66437455
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 119031793
2-[4-(Hydroxymethyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-1-ol
CID 163646702
4-Ethoxycarbonyl-1-ethyl-3-trifluoromethylpyrazole
CID 18996914
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 21039553
[1-Prop-2-ynyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 22392091
[1-Ethyl-3-trifluoromethyl-1H-pyrazol-4-yl]-methanol
CID 57574509
(1-isobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 58020550
[1-Cyclohexyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020555

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole (CID 118357733) is 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole is CCn1cc(COC)c(C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is HXJUWIHBRNREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-13-4-6(5-14-2)7(12-13)8(9,10)11/h4H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(methoxymethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).