3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide

C16H20BrN3O — CID 658373

IUPAC3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1
InChIInChI=1S/C16H20BrN3O/c1-4-8-18-16(21)14-7-5-6-13(9-14)10-20-12(3)15(17)11(2)19-20/h5-7,9H,4,8,10H2,1-3H3,(H,18,21)
InChIKeyWZURCIGKPSSFOS-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.45
Rot. Bonds5

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

3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide (PubChem CID 658373) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide
PubChem CID658373
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1
InChIInChI=1S/C16H20BrN3O/c1-4-8-18-16(21)14-7-5-6-13(9-14)10-20-12(3)15(17)11(2)19-20/h5-7,9H,4,8,10H2,1-3H3,(H,18,21)
InChIKeyWZURCIGKPSSFOS-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide 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

Dipeptidyl nitrile inhibitor, 26
CID 44224136
N-[3,5-dimethyl-1-(3-methylbenzyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
CID 1509168
2-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1225310
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
CID 2941662
4-bromo-1,5-dimethyl-N'-(2-methyl-3-phenyl-2-propenylidene)-1H-pyrazole-3-carbohydrazide
CID 6873431
3-tert-butyl-N-[(2S)-1-(2-iminoethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 49867395
[4-(3,5-dimethylpyrazolyl)phenyl]-N-(methylethyl)carboxamide
CID 664135
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
CID 916063
4-bromo-1-ethyl-N-(1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 2961840
2-bromo-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]benzamide
CID 3241980
N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 44536087
N,1-dibenzyl-3,5-dimethylpyrazole-4-carboxamide
CID 2114899

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide?
The IUPAC name of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide (CID 658373) is 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1.
What is the InChIKey of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide?
The InChIKey is WZURCIGKPSSFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-8-18-16(21)14-7-5-6-13(9-14)10-20-12(3)15(17)11(2)19-20/h5-7,9H,4,8,10H2,1-3H3,(H,18,21).
What are the key properties of 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide?
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propylbenzamide has a molecular weight of 350.26 g/mol, XLogP of 3.45, 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-propylbenzamide is sourced from PubChem (CID 658373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).