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

C15H15BrF3N3O2 — CID 1101550

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc1
InChIInChI=1S/C15H15BrF3N3O2/c1-9-13(16)14(15(17,18)19)21-22(9)8-12(23)20-7-10-3-5-11(24-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,20,23)
InChIKeyOCGURUPQRRXTIY-UHFFFAOYSA-N
MW406.20 g/mol
LogP3.30
Rot. Bonds5

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

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 1101550) has the molecular formula C15H15BrF3N3O2 and a molecular weight of 406.20 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID1101550
Molecular FormulaC15H15BrF3N3O2
Molecular Weight406.20 g/mol
Exact Mass405.03
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc1
InChIInChI=1S/C15H15BrF3N3O2/c1-9-13(16)14(15(17,18)19)21-22(9)8-12(23)20-7-10-3-5-11(24-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,20,23)
InChIKeyOCGURUPQRRXTIY-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]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-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308627
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 787892
N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
CID 655021
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24790113
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 1101548
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
CID 4523842
2-(4-Bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(4-methoxy-benzyl)-acetamide
CID 1101531
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methoxybenzyl)acetamide
CID 1113744
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-[(4-methoxyphenyl)methyl]butanamide
CID 16026599
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-(trifluoromethoxy)benzyl)acetamide
CID 38815595

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 1101550) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is OCGURUPQRRXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF3N3O2/c1-9-13(16)14(15(17,18)19)21-22(9)8-12(23)20-7-10-3-5-11(24-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 406.20 g/mol, XLogP of 3.30, 5 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-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1101550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).