2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate

C8H10F3N3O2 — CID 103853177

IUPAC2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H10F3N3O2/c1-5(6-2-12-13-3-6)14-7(15)16-4-8(9,10)11/h2-3,5H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyIXAFGVIQDKGLQX-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.76
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate

2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate (PubChem CID 103853177) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
PubChem CID103853177
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)OCC(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H10F3N3O2/c1-5(6-2-12-13-3-6)14-7(15)16-4-8(9,10)11/h2-3,5H,4H2,1H3,(H,12,13)(H,14,15)
InChIKeyIXAFGVIQDKGLQX-UHFFFAOYSA-N
XLogP1.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate (CID 103853177) is 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate is CC(NC(=O)OCC(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
The InChIKey is IXAFGVIQDKGLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-5(6-2-12-13-3-6)14-7(15)16-4-8(9,10)11/h2-3,5H,4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate?
2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate has a molecular weight of 237.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 103853177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).