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

C12H11BrFN3O — CID 103274908

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)Cn1cccn1
InChIInChI=1S/C12H11BrFN3O/c1-8-5-10(14)9(13)6-11(8)16-12(18)7-17-4-2-3-15-17/h2-6H,7H2,1H3,(H,16,18)
InChIKeyHSMJGRSDPFCBDO-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.73
Rot. Bonds3

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

N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide (PubChem CID 103274908) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide
PubChem CID103274908
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)Cn1cccn1
InChIInChI=1S/C12H11BrFN3O/c1-8-5-10(14)9(13)6-11(8)16-12(18)7-17-4-2-3-15-17/h2-6H,7H2,1H3,(H,16,18)
InChIKeyHSMJGRSDPFCBDO-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
CID 79766967
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide (CID 103274908) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide is Cc1cc(F)c(Br)cc1NC(=O)Cn1cccn1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide?
The InChIKey is HSMJGRSDPFCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-8-5-10(14)9(13)6-11(8)16-12(18)7-17-4-2-3-15-17/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-pyrazol-1-ylacetamide has a molecular weight of 312.14 g/mol, XLogP of 2.73, 3 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)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 103274908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).