N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide

C13H14BrN3O — CID 82757585

IUPACN-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1ccc(Br)c(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14BrN3O/c1-10-3-4-11(14)12(9-10)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)
InChIKeyBFYNNEWJKHWVON-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.98
Rot. Bonds4

About N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide

N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 82757585) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID82757585
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1ccc(Br)c(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14BrN3O/c1-10-3-4-11(14)12(9-10)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18)
InChIKeyBFYNNEWJKHWVON-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47354774
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
CID 61130308
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide (CID 82757585) is N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide is Cc1ccc(Br)c(NC(=O)CCn2cccn2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is BFYNNEWJKHWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-10-3-4-11(14)12(9-10)16-13(18)5-8-17-7-2-6-15-17/h2-4,6-7,9H,5,8H2,1H3,(H,16,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 308.18 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 82757585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).