2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride

C10H16ClF3N4O — CID 119796068

IUPAC2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C10H15F3N4O.ClH/c1-7(3-14-2)9(18)16-8-4-15-17(5-8)6-10(11,12)13;/h4-5,7,14H,3,6H2,1-2H3,(H,16,18);1H
InChIKeyNMWPJLQYIBEPFJ-UHFFFAOYSA-N
MW300.71 g/mol
LogP1.66
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride (PubChem CID 119796068) has the molecular formula C10H16ClF3N4O and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
PubChem CID119796068
Molecular FormulaC10H16ClF3N4O
Molecular Weight300.71 g/mol
Exact Mass300.10
IUPAC Name2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C10H15F3N4O.ClH/c1-7(3-14-2)9(18)16-8-4-15-17(5-8)6-10(11,12)13;/h4-5,7,14H,3,6H2,1-2H3,(H,16,18);1H
InChIKeyNMWPJLQYIBEPFJ-UHFFFAOYSA-N
XLogP1.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278322
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278313
(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 97226410
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726182
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 95741142
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride (CID 119796068) is 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1cnn(CC(F)(F)F)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride?
The InChIKey is NMWPJLQYIBEPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O.ClH/c1-7(3-14-2)9(18)16-8-4-15-17(5-8)6-10(11,12)13;/h4-5,7,14H,3,6H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride has a molecular weight of 300.71 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 119796068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).