N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide

C14H16BrN3O — CID 106491100

IUPACN-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)n2cccn2)cc(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-9-7-12(8-10(2)13(9)15)17-14(19)11(3)18-6-4-5-16-18/h4-8,11H,1-3H3,(H,17,19)
InChIKeyIAEDHQQYHADAAS-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.46
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide

N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 106491100) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
PubChem CID106491100
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cc(NC(=O)C(C)n2cccn2)cc(C)c1Br
InChIInChI=1S/C14H16BrN3O/c1-9-7-12(8-10(2)13(9)15)17-14(19)11(3)18-6-4-5-16-18/h4-8,11H,1-3H3,(H,17,19)
InChIKeyIAEDHQQYHADAAS-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113250420
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide
CID 47156473
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-(1-methylpyrazol-4-yl)-2-pyrazol-1-ylpropanamide
CID 47187700
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide (CID 106491100) is N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide is Cc1cc(NC(=O)C(C)n2cccn2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is IAEDHQQYHADAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-7-12(8-10(2)13(9)15)17-14(19)11(3)18-6-4-5-16-18/h4-8,11H,1-3H3,(H,17,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 322.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 106491100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).