4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide

C13H14BrN3O — CID 903278

IUPAC4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(C)cc2Br)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-9(2)6-10(5-8)15-13(18)12-11(14)7-17(3)16-12/h4-7H,1-3H3,(H,15,18)
InChIKeyPJDUMENRKSBKFI-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 903278) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID903278
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(C)cc2Br)c1
InChIInChI=1S/C13H14BrN3O/c1-8-4-9(2)6-10(5-8)15-13(18)12-11(14)7-17(3)16-12/h4-7H,1-3H3,(H,15,18)
InChIKeyPJDUMENRKSBKFI-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-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
CID 19577614
1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-3-(3-methylphenyl)urea
CID 1008073
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262728
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
4-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262698
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 1014790
4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide
CID 3572333
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide (CID 903278) is 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide is Cc1cc(C)cc(NC(=O)c2nn(C)cc2Br)c1.
What is the InChIKey of 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is PJDUMENRKSBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-4-9(2)6-10(5-8)15-13(18)12-11(14)7-17(3)16-12/h4-7H,1-3H3,(H,15,18).
What are the key properties of 4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(3,5-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-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 903278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).