2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide

C19H17BrFN3O — CID 55481146

IUPAC2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C19H17BrFN3O/c1-11-6-12(2)8-15(7-11)24-18(9-13(3)23-24)22-19(25)16-10-14(21)4-5-17(16)20/h4-10H,1-3H3,(H,22,25)
InChIKeyMBDRZSGMLPHZOU-UHFFFAOYSA-N
MW402.27 g/mol
LogP4.95
Rot. Bonds3

About 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide

2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide (PubChem CID 55481146) has the molecular formula C19H17BrFN3O and a molecular weight of 402.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
PubChem CID55481146
Molecular FormulaC19H17BrFN3O
Molecular Weight402.27 g/mol
Exact Mass401.05
IUPAC Name2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C19H17BrFN3O/c1-11-6-12(2)8-15(7-11)24-18(9-13(3)23-24)22-19(25)16-10-14(21)4-5-17(16)20/h4-10H,1-3H3,(H,22,25)
InChIKeyMBDRZSGMLPHZOU-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
CID 55520394
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55377247
2-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 47017202
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 112823648
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75514166
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide (CID 55481146) is 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cc(F)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide?
The InChIKey is MBDRZSGMLPHZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O/c1-11-6-12(2)8-15(7-11)24-18(9-13(3)23-24)22-19(25)16-10-14(21)4-5-17(16)20/h4-10H,1-3H3,(H,22,25).
What are the key properties of 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide?
2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide has a molecular weight of 402.27 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide is sourced from PubChem (CID 55481146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).