ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole

C10H17F3N2O — CID 145361020

IUPACethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCC.COCCn1cc(C)c(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O.C2H6/c1-6-5-13(3-4-14-2)12-7(6)8(9,10)11;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyKJWHZIRYDUWXPV-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.88
Rot. Bonds3

About ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole

ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 145361020) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole
PubChem CID145361020
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Nameethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCC.COCCn1cc(C)c(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2O.C2H6/c1-6-5-13(3-4-14-2)12-7(6)8(9,10)11;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyKJWHZIRYDUWXPV-UHFFFAOYSA-N
XLogP2.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole (CID 145361020) is ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole is CC.COCCn1cc(C)c(C(F)(F)F)n1.
What is the InChIKey of ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is KJWHZIRYDUWXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O.C2H6/c1-6-5-13(3-4-14-2)12-7(6)8(9,10)11;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 238.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-4-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 145361020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).