methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate

C10H14F3N3O2 — CID 79584542

IUPACmethyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1cnn(C)c1C
InChIInChI=1S/C10H14F3N3O2/c1-6-7(4-15-16(6)2)8(9(17)18-3)14-5-10(11,12)13/h4,8,14H,5H2,1-3H3
InChIKeyCIGFDMVFDZTJDD-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.09
Rot. Bonds4

About methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate

methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 79584542) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID79584542
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCOC(=O)C(NCC(F)(F)F)c1cnn(C)c1C
InChIInChI=1S/C10H14F3N3O2/c1-6-7(4-15-16(6)2)8(9(17)18-3)14-5-10(11,12)13/h4,8,14H,5H2,1-3H3
InChIKeyCIGFDMVFDZTJDD-UHFFFAOYSA-N
XLogP1.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 79584542) is methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate is COC(=O)C(NCC(F)(F)F)c1cnn(C)c1C.
What is the InChIKey of methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is CIGFDMVFDZTJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6-7(4-15-16(6)2)8(9(17)18-3)14-5-10(11,12)13/h4,8,14H,5H2,1-3H3.
What are the key properties of methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 265.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,5-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 79584542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).