2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide

C8H10F3N3O — CID 19452161

IUPAC2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccn(C)n1)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-13(7(15)8(9,10)11)5-6-3-4-14(2)12-6/h3-4H,5H2,1-2H3
InChIKeySGZYMNBPPLYLMU-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.94
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19452161) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19452161
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCN(Cc1ccn(C)n1)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-13(7(15)8(9,10)11)5-6-3-4-14(2)12-6/h3-4H,5H2,1-2H3
InChIKeySGZYMNBPPLYLMU-UHFFFAOYSA-N
XLogP0.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]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 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide (CID 19452161) is 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide is CN(Cc1ccn(C)n1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is SGZYMNBPPLYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-13(7(15)8(9,10)11)5-6-3-4-14(2)12-6/h3-4H,5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 221.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19452161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).