2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride

C9H14ClF3N4O — CID 120705294

IUPAC2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1cn(C)nc1C(F)(F)F.Cl
InChIInChI=1S/C9H13F3N4O.ClH/c1-13-4-7(17)14-3-6-5-16(2)15-8(6)9(10,11)12;/h5,13H,3-4H2,1-2H3,(H,14,17);1H
InChIKeyVTYHNTICHLIGAH-UHFFFAOYSA-N
MW286.69 g/mol
LogP0.70
Rot. Bonds4

About 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride

2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride (PubChem CID 120705294) has the molecular formula C9H14ClF3N4O and a molecular weight of 286.69 g/mol. Its IUPAC name is 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride
PubChem CID120705294
Molecular FormulaC9H14ClF3N4O
Molecular Weight286.69 g/mol
Exact Mass286.08
IUPAC Name2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride
SMILESCNCC(=O)NCc1cn(C)nc1C(F)(F)F.Cl
InChIInChI=1S/C9H13F3N4O.ClH/c1-13-4-7(17)14-3-6-5-16(2)15-8(6)9(10,11)12;/h5,13H,3-4H2,1-2H3,(H,14,17);1H
InChIKeyVTYHNTICHLIGAH-UHFFFAOYSA-N
XLogP0.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride 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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoylamino]butanoic acid
CID 122007449
4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 138034823
1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
4,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 120955108
1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965310
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 83082371
1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126965103
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126965188
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19519700
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-ol
CID 83675743

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride (CID 120705294) is 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride is CNCC(=O)NCc1cn(C)nc1C(F)(F)F.Cl.
What is the InChIKey of 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is VTYHNTICHLIGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O.ClH/c1-13-4-7(17)14-3-6-5-16(2)15-8(6)9(10,11)12;/h5,13H,3-4H2,1-2H3,(H,14,17);1H.
What are the key properties of 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride?
2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 286.69 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120705294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).