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

C16H17BrF3N3O3 — CID 4523842

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc(OC)c1
InChIInChI=1S/C16H17BrF3N3O3/c1-9-14(17)15(16(18,19)20)22-23(9)8-13(24)21-7-10-4-11(25-2)6-12(5-10)26-3/h4-6H,7-8H2,1-3H3,(H,21,24)
InChIKeyVHDHMVRDLVFAPG-UHFFFAOYSA-N
MW436.23 g/mol
LogP3.31
Rot. Bonds6

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

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide (PubChem CID 4523842) has the molecular formula C16H17BrF3N3O3 and a molecular weight of 436.23 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
PubChem CID4523842
Molecular FormulaC16H17BrF3N3O3
Molecular Weight436.23 g/mol
Exact Mass435.04
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc(OC)c1
InChIInChI=1S/C16H17BrF3N3O3/c1-9-14(17)15(16(18,19)20)22-23(9)8-13(24)21-7-10-4-11(25-2)6-12(5-10)26-3/h4-6H,7-8H2,1-3H3,(H,21,24)
InChIKeyVHDHMVRDLVFAPG-UHFFFAOYSA-N
XLogP3.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)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
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 1100804
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1101550
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 998479
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
CID 998374
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1222046
N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267301
N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267591
2,5-dimethyl-N-[[3-[3-(trifluoromethoxy)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 140185354
3-ethyl-1-methyl-N-[[3-[3-(trifluoromethoxy)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 140185360
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483393

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide (CID 4523842) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)cc(OC)c1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The InChIKey is VHDHMVRDLVFAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF3N3O3/c1-9-14(17)15(16(18,19)20)22-23(9)8-13(24)21-7-10-4-11(25-2)6-12(5-10)26-3/h4-6H,7-8H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide has a molecular weight of 436.23 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4523842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).