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

C11H14F3N3O3 — CID 61383710

IUPACmethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-3-16(7-10(19)20-2)9(18)6-17-5-4-8(15-17)11(12,13)14/h4-5H,3,6-7H2,1-2H3
InChIKeyRMTCAKTTZYQUBB-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.92
Rot. Bonds5

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

methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (PubChem CID 61383710) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
PubChem CID61383710
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Namemethyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-3-16(7-10(19)20-2)9(18)6-17-5-4-8(15-17)11(12,13)14/h4-5H,3,6-7H2,1-2H3
InChIKeyRMTCAKTTZYQUBB-UHFFFAOYSA-N
XLogP0.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (CID 61383710) is methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is CCN(CC(=O)OC)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The InChIKey is RMTCAKTTZYQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-3-16(7-10(19)20-2)9(18)6-17-5-4-8(15-17)11(12,13)14/h4-5H,3,6-7H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate has a molecular weight of 293.25 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 61383710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).