2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C19H16ClF3N4O — CID 169091176

IUPAC2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1ccc(Cl)cc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C19H16ClF3N4O/c1-11-7-8-12(20)9-15(11)24-14-6-4-3-5-13(14)18(28)25-17-10-16(19(21,22)23)26-27(17)2/h3-10,24H,1-2H3,(H,25,28)
InChIKeyVIKUBQBKBIQREB-UHFFFAOYSA-N
MW408.81 g/mol
LogP5.40
Rot. Bonds4

About 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide

2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 169091176) has the molecular formula C19H16ClF3N4O and a molecular weight of 408.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID169091176
Molecular FormulaC19H16ClF3N4O
Molecular Weight408.81 g/mol
Exact Mass408.10
IUPAC Name2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCc1ccc(Cl)cc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C19H16ClF3N4O/c1-11-7-8-12(20)9-15(11)24-14-6-4-3-5-13(14)18(28)25-17-10-16(19(21,22)23)26-27(17)2/h3-10,24H,1-2H3,(H,25,28)
InChIKeyVIKUBQBKBIQREB-UHFFFAOYSA-N
XLogP5.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide 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

2-(4-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983718
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
3-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 11234162
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 11046825
1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135521595
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
2-(3-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983699
US9447106, 134a (peak 1)
CID 137228124

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 169091176) is 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is Cc1ccc(Cl)cc1Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is VIKUBQBKBIQREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O/c1-11-7-8-12(20)9-15(11)24-14-6-4-3-5-13(14)18(28)25-17-10-16(19(21,22)23)26-27(17)2/h3-10,24H,1-2H3,(H,25,28).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 408.81 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 169091176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).