2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate

C7H8F3N3O2 — CID 65173902

IUPAC2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H8F3N3O2/c1-4-2-5(13-12-4)11-6(14)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyCVRQAIOGMLBNBZ-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.83
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate

2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate (PubChem CID 65173902) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
PubChem CID65173902
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCC(F)(F)F)n[nH]1
InChIInChI=1S/C7H8F3N3O2/c1-4-2-5(13-12-4)11-6(14)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyCVRQAIOGMLBNBZ-UHFFFAOYSA-N
XLogP1.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)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-(5-methyl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate (CID 65173902) is 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate is Cc1cc(NC(=O)OCC(F)(F)F)n[nH]1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The InChIKey is CVRQAIOGMLBNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-4-2-5(13-12-4)11-6(14)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate?
2,2,2-trifluoroethyl N-(5-methyl-1H-pyrazol-3-yl)carbamate has a molecular weight of 223.15 g/mol, XLogP of 1.83, 2 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-(5-methyl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 65173902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).