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

C18H17BrF3N5O — CID 19523006

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1ccccc1Cn1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)n1
InChIInChI=1S/C18H17BrF3N5O/c1-11-5-3-4-6-13(11)9-26-8-7-14(24-26)23-15(28)10-27-12(2)16(19)17(25-27)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24,28)
InChIKeyLRIAJXHHFBQHFQ-UHFFFAOYSA-N
MW456.27 g/mol
LogP4.16
Rot. Bonds5

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

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19523006) has the molecular formula C18H17BrF3N5O and a molecular weight of 456.27 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19523006
Molecular FormulaC18H17BrF3N5O
Molecular Weight456.27 g/mol
Exact Mass455.06
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1ccccc1Cn1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)n1
InChIInChI=1S/C18H17BrF3N5O/c1-11-5-3-4-6-13(11)9-26-8-7-14(24-26)23-15(28)10-27-12(2)16(19)17(25-27)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24,28)
InChIKeyLRIAJXHHFBQHFQ-UHFFFAOYSA-N
XLogP4.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19520081
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19517389
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19550158
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19523127
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19556334
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520105
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1080175
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
4-bromo-1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-5-carboxamide
CID 19480334
3-bromo-5-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462361
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]acetamide
CID 19523000

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 19523006) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide is Cc1ccccc1Cn1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)n1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is LRIAJXHHFBQHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF3N5O/c1-11-5-3-4-6-13(11)9-26-8-7-14(24-26)23-15(28)10-27-12(2)16(19)17(25-27)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,24,28).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 456.27 g/mol, XLogP of 4.16, 5 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-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19523006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).