methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate

C10H14F3N3O2 — CID 64975197

IUPACmethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1c(C)n[nH]c1C
InChIInChI=1S/C10H14F3N3O2/c1-5-7(6(2)16-15-5)8(9(17)18-3)14-4-10(11,12)13/h8,14H,4H2,1-3H3,(H,15,16)
InChIKeyUERXRHHKACBOFU-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.39
Rot. Bonds4

About methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate

methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 64975197) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID64975197
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1c(C)n[nH]c1C
InChIInChI=1S/C10H14F3N3O2/c1-5-7(6(2)16-15-5)8(9(17)18-3)14-4-10(11,12)13/h8,14H,4H2,1-3H3,(H,15,16)
InChIKeyUERXRHHKACBOFU-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 64975197) is methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)c1c(C)n[nH]c1C.
What is the InChIKey of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is UERXRHHKACBOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-5-7(6(2)16-15-5)8(9(17)18-3)14-4-10(11,12)13/h8,14H,4H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 265.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 64975197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).