ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate

C11H13F3N2O2 — CID 7017154

IUPACethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)6-16-8(7-3-4-7)5-9(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyOTBNUUMXSXCSSY-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate

ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 7017154) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID7017154
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)6-16-8(7-3-4-7)5-9(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyOTBNUUMXSXCSSY-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate (CID 7017154) is ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is OTBNUUMXSXCSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-18-10(17)6-16-8(7-3-4-7)5-9(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate?
ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 262.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 7017154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).