3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

C17H22BrN3O — CID 1222403

IUPAC3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br
InChIInChI=1S/C17H22BrN3O/c1-11(2)9-19-17(22)15-7-5-6-14(8-15)10-21-13(4)16(18)12(3)20-21/h5-8,11H,9-10H2,1-4H3,(H,19,22)
InChIKeyLDLUOCZRBDBXGQ-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.70
Rot. Bonds5

About 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 1222403) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID1222403
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br
InChIInChI=1S/C17H22BrN3O/c1-11(2)9-19-17(22)15-7-5-6-14(8-15)10-21-13(4)16(18)12(3)20-21/h5-8,11H,9-10H2,1-4H3,(H,19,22)
InChIKeyLDLUOCZRBDBXGQ-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (CID 1222403) is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide is Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br.
What is the InChIKey of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is LDLUOCZRBDBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-11(2)9-19-17(22)15-7-5-6-14(8-15)10-21-13(4)16(18)12(3)20-21/h5-8,11H,9-10H2,1-4H3,(H,19,22).
What are the key properties of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 364.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1222403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).