2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

C7H8F3N3O — CID 112527694

IUPAC2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccn[nH]1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-11-6(14)3-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyZICRKIZRNXXYKP-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.63
Rot. Bonds3

About 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112527694) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112527694
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cc1ccn[nH]1)NCC(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)4-11-6(14)3-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyZICRKIZRNXXYKP-UHFFFAOYSA-N
XLogP0.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide 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-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 112527694) is 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cc1ccn[nH]1)NCC(F)(F)F.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZICRKIZRNXXYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)4-11-6(14)3-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13).
What are the key properties of 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 207.15 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112527694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).