ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate

C10H13F3N2O3 — CID 91091671

IUPACethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(CCO)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-18-8(17)5-7-6-15(3-4-16)14-9(7)10(11,12)13/h6,16H,2-5H2,1H3
InChIKeyIVMADDFVUKAKIJ-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.00
Rot. Bonds5

About ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate

ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate (PubChem CID 91091671) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate
PubChem CID91091671
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Nameethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cn(CCO)nc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O3/c1-2-18-8(17)5-7-6-15(3-4-16)14-9(7)10(11,12)13/h6,16H,2-5H2,1H3
InChIKeyIVMADDFVUKAKIJ-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate (CID 91091671) is ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate is CCOC(=O)Cc1cn(CCO)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate?
The InChIKey is IVMADDFVUKAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-2-18-8(17)5-7-6-15(3-4-16)14-9(7)10(11,12)13/h6,16H,2-5H2,1H3.
What are the key properties of ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate?
ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate has a molecular weight of 266.22 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]acetate is sourced from PubChem (CID 91091671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).