3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide

C15H18BrN3O — CID 19570193

IUPAC3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCn2ncc(Br)c2C)c1
InChIInChI=1S/C15H18BrN3O/c1-10-4-5-11(2)14(8-10)18-15(20)6-7-19-12(3)13(16)9-17-19/h4-5,8-9H,6-7H2,1-3H3,(H,18,20)
InChIKeyMSPVHQIXFKBALU-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.60
Rot. Bonds4

About 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide

3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 19570193) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID19570193
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCn2ncc(Br)c2C)c1
InChIInChI=1S/C15H18BrN3O/c1-10-4-5-11(2)14(8-10)18-15(20)6-7-19-12(3)13(16)9-17-19/h4-5,8-9H,6-7H2,1-3H3,(H,18,20)
InChIKeyMSPVHQIXFKBALU-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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Related Compounds

N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19570101
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19557792
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19346593
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]propanamide
CID 19338675
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411218
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
N-[3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19541604
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19286226
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552093

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide (CID 19570193) is 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCn2ncc(Br)c2C)c1.
What is the InChIKey of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is MSPVHQIXFKBALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-4-5-11(2)14(8-10)18-15(20)6-7-19-12(3)13(16)9-17-19/h4-5,8-9H,6-7H2,1-3H3,(H,18,20).
What are the key properties of 3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide?
3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)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-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 19570193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).