2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride

C14H16ClF3N4O — CID 119680082

IUPAC2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H15F3N4O.ClH/c1-9-7-12(19-13(22)8-18-2)21(20-9)11-6-4-3-5-10(11)14(15,16)17;/h3-7,18H,8H2,1-2H3,(H,19,22);1H
InChIKeyWXSCZWCYBWOUGK-UHFFFAOYSA-N
MW348.76 g/mol
LogP2.78
Rot. Bonds4

About 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride

2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride (PubChem CID 119680082) has the molecular formula C14H16ClF3N4O and a molecular weight of 348.76 g/mol. Its IUPAC name is 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride
PubChem CID119680082
Molecular FormulaC14H16ClF3N4O
Molecular Weight348.76 g/mol
Exact Mass348.10
IUPAC Name2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H15F3N4O.ClH/c1-9-7-12(19-13(22)8-18-2)21(20-9)11-6-4-3-5-10(11)14(15,16)17;/h3-7,18H,8H2,1-2H3,(H,19,22);1H
InChIKeyWXSCZWCYBWOUGK-UHFFFAOYSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]propanamide;hydrochloride
CID 119680088
N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119680080
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
2-bromo-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 63679280
2-[ethyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55411337
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664958
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
N-[2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 78837959
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 17496916

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride (CID 119680082) is 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride is CNCC(=O)Nc1cc(C)nn1-c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride?
The InChIKey is WXSCZWCYBWOUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O.ClH/c1-9-7-12(19-13(22)8-18-2)21(20-9)11-6-4-3-5-10(11)14(15,16)17;/h3-7,18H,8H2,1-2H3,(H,19,22);1H.
What are the key properties of 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride?
2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride has a molecular weight of 348.76 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119680082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).