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

C13H14BrN3O — CID 104939286

IUPACN-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1cc(Br)cc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14BrN3O/c1-10-7-11(14)9-12(8-10)16-13(18)3-6-17-5-2-4-15-17/h2,4-5,7-9H,3,6H2,1H3,(H,16,18)
InChIKeyJOAZBTXIKOVJBN-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.98
Rot. Bonds4

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

N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 104939286) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID104939286
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1cc(Br)cc(NC(=O)CCn2cccn2)c1
InChIInChI=1S/C13H14BrN3O/c1-10-7-11(14)9-12(8-10)16-13(18)3-6-17-5-2-4-15-17/h2,4-5,7-9H,3,6H2,1H3,(H,16,18)
InChIKeyJOAZBTXIKOVJBN-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-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47354774
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
N-(3-bromo-5-methylphenyl)-4,4,4-trifluorobutanamide
CID 104938592
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-pyrazol-1-ylpropanamide
CID 63333811
methyl 2-[4-(3-pyrazol-1-ylpropanoylamino)pyrazol-1-yl]acetate
CID 61017975
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-pyrazol-1-ylpropanamide
CID 60804474

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide (CID 104939286) is N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide is Cc1cc(Br)cc(NC(=O)CCn2cccn2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is JOAZBTXIKOVJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-10-7-11(14)9-12(8-10)16-13(18)3-6-17-5-2-4-15-17/h2,4-5,7-9H,3,6H2,1H3,(H,16,18).
What are the key properties of N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide?
N-(3-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-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 104939286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).