methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate

C11H16F3N3O2 — CID 112669815

IUPACmethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCc1nn(C)cc1C(NCC(F)(F)F)C(=O)OC
InChIInChI=1S/C11H16F3N3O2/c1-4-8-7(5-17(2)16-8)9(10(18)19-3)15-6-11(12,13)14/h5,9,15H,4,6H2,1-3H3
InChIKeyCSWDPBDSVFGTBF-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.35
Rot. Bonds5

About methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate

methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 112669815) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID112669815
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Namemethyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCc1nn(C)cc1C(NCC(F)(F)F)C(=O)OC
InChIInChI=1S/C11H16F3N3O2/c1-4-8-7(5-17(2)16-8)9(10(18)19-3)15-6-11(12,13)14/h5,9,15H,4,6H2,1-3H3
InChIKeyCSWDPBDSVFGTBF-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 112669815) is methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate is CCc1nn(C)cc1C(NCC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is CSWDPBDSVFGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-4-8-7(5-17(2)16-8)9(10(18)19-3)15-6-11(12,13)14/h5,9,15H,4,6H2,1-3H3.
What are the key properties of methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate?
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 279.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 112669815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).