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

C10H12F3N3O3 — CID 43407617

IUPACmethyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-15(6-9(18)19-2)8(17)5-16-4-3-7(14-16)10(11,12)13/h3-4H,5-6H2,1-2H3
InChIKeyTURZGMSVTAJYNC-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.53
Rot. Bonds4

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

methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (PubChem CID 43407617) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
PubChem CID43407617
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Namemethyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O3/c1-15(6-9(18)19-2)8(17)5-16-4-3-7(14-16)10(11,12)13/h3-4H,5-6H2,1-2H3
InChIKeyTURZGMSVTAJYNC-UHFFFAOYSA-N
XLogP0.53
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate (CID 43407617) is methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is COC(=O)CN(C)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
The InChIKey is TURZGMSVTAJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-15(6-9(18)19-2)8(17)5-16-4-3-7(14-16)10(11,12)13/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate?
methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate has a molecular weight of 279.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 43407617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).