3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide

C13H14BrN3O — CID 112696158

IUPAC3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1Br
InChIInChI=1S/C13H14BrN3O/c1-7-4-5-10(6-11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKeyHFWZCRRQWBMGIN-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.35
Rot. Bonds2

About 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide

3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide (PubChem CID 112696158) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
PubChem CID112696158
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1Br
InChIInChI=1S/C13H14BrN3O/c1-7-4-5-10(6-11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKeyHFWZCRRQWBMGIN-UHFFFAOYSA-N
XLogP3.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide 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-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 115610262
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide (CID 112696158) is 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1Br.
What is the InChIKey of 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The InChIKey is HFWZCRRQWBMGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-7-4-5-10(6-11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,1-3H3,(H2,15,16,17,18).
What are the key properties of 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide has a molecular weight of 308.18 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide is sourced from PubChem (CID 112696158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).