2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate

C10H12F3N3O4 — CID 75405857

IUPAC2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCC(F)(F)F)OCCn1cccn1
InChIInChI=1S/C10H12F3N3O4/c11-10(12,13)7-20-9(18)14-6-8(17)19-5-4-16-3-1-2-15-16/h1-3H,4-7H2,(H,14,18)
InChIKeyCUYWWUYBQQYFBT-UHFFFAOYSA-N
MW295.22 g/mol
LogP0.71
Rot. Bonds6

About 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate

2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate (PubChem CID 75405857) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate
PubChem CID75405857
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCC(F)(F)F)OCCn1cccn1
InChIInChI=1S/C10H12F3N3O4/c11-10(12,13)7-20-9(18)14-6-8(17)19-5-4-16-3-1-2-15-16/h1-3H,4-7H2,(H,14,18)
InChIKeyCUYWWUYBQQYFBT-UHFFFAOYSA-N
XLogP0.71
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate?
The IUPAC name of 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate (CID 75405857) is 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate?
The canonical SMILES for 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate is O=C(CNC(=O)OCC(F)(F)F)OCCn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate?
The InChIKey is CUYWWUYBQQYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c11-10(12,13)7-20-9(18)14-6-8(17)19-5-4-16-3-1-2-15-16/h1-3H,4-7H2,(H,14,18).
What are the key properties of 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate?
2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate has a molecular weight of 295.22 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 2-(2,2,2-trifluoroethoxycarbonylamino)acetate is sourced from PubChem (CID 75405857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).