ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate

C12H16F3N3O3 — CID 61012911

IUPACethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O3/c1-3-17(8-11(20)21-4-2)10(19)7-18-6-5-9(16-18)12(13,14)15/h5-6H,3-4,7-8H2,1-2H3
InChIKeySJLMYHIEXYZHFR-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.31
Rot. Bonds6

About ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate

ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (PubChem CID 61012911) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
PubChem CID61012911
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Nameethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O3/c1-3-17(8-11(20)21-4-2)10(19)7-18-6-5-9(16-18)12(13,14)15/h5-6H,3-4,7-8H2,1-2H3
InChIKeySJLMYHIEXYZHFR-UHFFFAOYSA-N
XLogP1.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (CID 61012911) is ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is CCOC(=O)CN(CC)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The InChIKey is SJLMYHIEXYZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-3-17(8-11(20)21-4-2)10(19)7-18-6-5-9(16-18)12(13,14)15/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate has a molecular weight of 307.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 61012911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).