4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide

C13H14BrN3O — CID 19262689

IUPAC4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)cc2Br)c1C
InChIInChI=1S/C13H14BrN3O/c1-8-5-4-6-11(9(8)2)15-13(18)12-10(14)7-17(3)16-12/h4-7H,1-3H3,(H,15,18)
InChIKeyWHVOGPTWBZQFOM-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19262689) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID19262689
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)cc2Br)c1C
InChIInChI=1S/C13H14BrN3O/c1-8-5-4-6-11(9(8)2)15-13(18)12-10(14)7-17(3)16-12/h4-7H,1-3H3,(H,15,18)
InChIKeyWHVOGPTWBZQFOM-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110862780
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoate
CID 7067902
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
CID 19577614
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709
4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262728
1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 19342847
4-chloro-N-(2,3-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267839
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide (CID 19262689) is 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide is Cc1cccc(NC(=O)c2nn(C)cc2Br)c1C.
What is the InChIKey of 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is WHVOGPTWBZQFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-5-4-6-11(9(8)2)15-13(18)12-10(14)7-17(3)16-12/h4-7H,1-3H3,(H,15,18).
What are the key properties of 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).