2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide

C15H18BrN3O — CID 19533298

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2cc(Br)c(C)n2)c1C
InChIInChI=1S/C15H18BrN3O/c1-9-6-5-7-14(10(9)2)17-15(20)12(4)19-8-13(16)11(3)18-19/h5-8,12H,1-4H3,(H,17,20)
InChIKeyRWZJEEJEORKWJH-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.77
Rot. Bonds3

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 19533298) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID19533298
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2cc(Br)c(C)n2)c1C
InChIInChI=1S/C15H18BrN3O/c1-9-6-5-7-14(10(9)2)17-15(20)12(4)19-8-13(16)11(3)18-19/h5-8,12H,1-4H3,(H,17,20)
InChIKeyRWZJEEJEORKWJH-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 19533348
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19533480
diethyl 5-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19533334
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404297
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19533516
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide (CID 19533298) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)C(C)n2cc(Br)c(C)n2)c1C.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is RWZJEEJEORKWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9-6-5-7-14(10(9)2)17-15(20)12(4)19-8-13(16)11(3)18-19/h5-8,12H,1-4H3,(H,17,20).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 336.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 19533298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).