ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole

C9H15F3N2O — CID 172596805

IUPACethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole
SMILESCC.CCn1nc(C(F)(F)F)cc1OC
InChIInChI=1S/C7H9F3N2O.C2H6/c1-3-12-6(13-2)4-5(11-12)7(8,9)10;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyBNFMAZCTUSZPDJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.96
Rot. Bonds2

About ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole

ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole (PubChem CID 172596805) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole
PubChem CID172596805
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Nameethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole
SMILESCC.CCn1nc(C(F)(F)F)cc1OC
InChIInChI=1S/C7H9F3N2O.C2H6/c1-3-12-6(13-2)4-5(11-12)7(8,9)10;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyBNFMAZCTUSZPDJ-UHFFFAOYSA-N
XLogP2.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole (CID 172596805) is ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole is CC.CCn1nc(C(F)(F)F)cc1OC.
What is the InChIKey of ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole?
The InChIKey is BNFMAZCTUSZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O.C2H6/c1-3-12-6(13-2)4-5(11-12)7(8,9)10;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole?
ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole has a molecular weight of 224.23 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-5-methoxy-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 172596805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).