N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C12H11BrFN3O — CID 103274927

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C12H11BrFN3O/c1-6-3-10(14)9(13)4-11(6)16-12(18)8-5-15-17-7(8)2/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyXQFRQWXQJKIBCS-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.18
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 103274927) 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)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID103274927
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C12H11BrFN3O/c1-6-3-10(14)9(13)4-11(6)16-12(18)8-5-15-17-7(8)2/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyXQFRQWXQJKIBCS-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyrazine-2-carboxamide
CID 106551752
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 103274927) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1cn[nH]c1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is XQFRQWXQJKIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-6-3-10(14)9(13)4-11(6)16-12(18)8-5-15-17-7(8)2/h3-5H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 312.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103274927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).