ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C12H21F3N2O — CID 144946031

IUPACethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC.COCCn1nc(C(F)(F)F)cc1C(C)C
InChIInChI=1S/C10H15F3N2O.C2H6/c1-7(2)8-6-9(10(11,12)13)14-15(8)4-5-16-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyDJFSDLXLICEZSX-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.70
Rot. Bonds4

About ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 144946031) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID144946031
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Nameethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC.COCCn1nc(C(F)(F)F)cc1C(C)C
InChIInChI=1S/C10H15F3N2O.C2H6/c1-7(2)8-6-9(10(11,12)13)14-15(8)4-5-16-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyDJFSDLXLICEZSX-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.70
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)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 144946031) is ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC.COCCn1nc(C(F)(F)F)cc1C(C)C.
What is the InChIKey of ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is DJFSDLXLICEZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O.C2H6/c1-7(2)8-6-9(10(11,12)13)14-15(8)4-5-16-3;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 266.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 144946031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).