N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide

C13H14BrN3O — CID 61061508

IUPACN-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2C)n(C)n1
InChIInChI=1S/C13H14BrN3O/c1-8-4-5-10(14)7-11(8)15-13(18)12-6-9(2)16-17(12)3/h4-7H,1-3H3,(H,15,18)
InChIKeyHINOPHYLXVUNOO-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.05
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 61061508) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID61061508
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2C)n(C)n1
InChIInChI=1S/C13H14BrN3O/c1-8-4-5-10(14)7-11(8)15-13(18)12-6-9(2)16-17(12)3/h4-7H,1-3H3,(H,15,18)
InChIKeyHINOPHYLXVUNOO-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

N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 77112237
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 87025355
N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121522
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 107800757
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 61061508) is N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Br)ccc2C)n(C)n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HINOPHYLXVUNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-4-5-10(14)7-11(8)15-13(18)12-6-9(2)16-17(12)3/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-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 N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 61061508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).