2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide

C6H6F3N3O — CID 130703024

IUPAC2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C6H6F3N3O/c1-12(4-2-10-11-3-4)5(13)6(7,8)9/h2-3H,1H3,(H,10,11)
InChIKeyJJSOTHFZKXOONG-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.93
Rot. Bonds1

About 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide

2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 130703024) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide
PubChem CID130703024
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide
SMILESCN(C(=O)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C6H6F3N3O/c1-12(4-2-10-11-3-4)5(13)6(7,8)9/h2-3H,1H3,(H,10,11)
InChIKeyJJSOTHFZKXOONG-UHFFFAOYSA-N
XLogP0.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
1-(1h-Pyrazol-4-yl)pyrrolidin-2-one
CID 134691297
1-butyl-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045102
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890
N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141335326
N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide
CID 141335327
N-(difluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141360431
N-(1,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 175573093

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide (CID 130703024) is 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide is CN(C(=O)C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is JJSOTHFZKXOONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-12(4-2-10-11-3-4)5(13)6(7,8)9/h2-3H,1H3,(H,10,11).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 193.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 130703024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).