3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide

C15H18BrN3O — CID 6499796

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C15H18BrN3O/c1-10-4-6-13(7-5-10)17-14(20)8-9-19-12(3)15(16)11(2)18-19/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyNXPMYLPJSMUGCD-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.60
Rot. Bonds4

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide (PubChem CID 6499796) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide
PubChem CID6499796
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C15H18BrN3O/c1-10-4-6-13(7-5-10)17-14(20)8-9-19-12(3)15(16)11(2)18-19/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyNXPMYLPJSMUGCD-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide (CID 6499796) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCn2nc(C)c(Br)c2C)cc1.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is NXPMYLPJSMUGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-4-6-13(7-5-10)17-14(20)8-9-19-12(3)15(16)11(2)18-19/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 336.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 6499796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).