N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide

C13H13BrFN3O — CID 99832953

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCn1cccn1
InChIInChI=1S/C13H13BrFN3O/c1-9-7-11(15)10(14)8-12(9)17-13(19)3-6-18-5-2-4-16-18/h2,4-5,7-8H,3,6H2,1H3,(H,17,19)
InChIKeyZNCVIOHNXZTLSK-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.12
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide

N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 99832953) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID99832953
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCn1cccn1
InChIInChI=1S/C13H13BrFN3O/c1-9-7-11(15)10(14)8-12(9)17-13(19)3-6-18-5-2-4-16-18/h2,4-5,7-8H,3,6H2,1H3,(H,17,19)
InChIKeyZNCVIOHNXZTLSK-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide
CID 103274908
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
CID 61130308
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47354774
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide (CID 99832953) is N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide is Cc1cc(F)c(Br)cc1NC(=O)CCn1cccn1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is ZNCVIOHNXZTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-9-7-11(15)10(14)8-12(9)17-13(19)3-6-18-5-2-4-16-18/h2,4-5,7-8H,3,6H2,1H3,(H,17,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 326.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 99832953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).