2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

C14H12BrClF3N3O2 — CID 1101547

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C14H12BrClF3N3O2/c1-7-12(15)13(14(17,18)19)21-22(7)6-11(23)20-9-5-8(16)3-4-10(9)24-2/h3-5H,6H2,1-2H3,(H,20,23)
InChIKeyKQARXMOSEWJQKX-UHFFFAOYSA-N
MW426.62 g/mol
LogP4.27
Rot. Bonds4

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 1101547) has the molecular formula C14H12BrClF3N3O2 and a molecular weight of 426.62 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID1101547
Molecular FormulaC14H12BrClF3N3O2
Molecular Weight426.62 g/mol
Exact Mass424.98
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C14H12BrClF3N3O2/c1-7-12(15)13(14(17,18)19)21-22(7)6-11(23)20-9-5-8(16)3-4-10(9)24-2/h3-5H,6H2,1-2H3,(H,20,23)
InChIKeyKQARXMOSEWJQKX-UHFFFAOYSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.62
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide 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-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 1100804
N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
CID 2746417
N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 753166
N-(5-chloro-2-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711713
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 1101546
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 1113740
N-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)(4,5,6-trihydrocyclopenta[2,1-d]pyrazolyl)]acetamide
CID 1129757
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 1226243
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 749086
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749111

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 1101547) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c(Br)c1C.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is KQARXMOSEWJQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF3N3O2/c1-7-12(15)13(14(17,18)19)21-22(7)6-11(23)20-9-5-8(16)3-4-10(9)24-2/h3-5H,6H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 426.62 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 1101547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).