3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C11H9BrFN3O — CID 106547271

IUPAC3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFN3O/c1-6-5-14-16-10(6)15-11(17)7-3-2-4-8(12)9(7)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyZHOSWODUCUWYBU-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.87
Rot. Bonds2

About 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 106547271) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID106547271
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFN3O/c1-6-5-14-16-10(6)15-11(17)7-3-2-4-8(12)9(7)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyZHOSWODUCUWYBU-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 103990810
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691255
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 113236904
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 104619425
2-bromo-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 104620185
3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 106547869
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-fluoro-3-methylbenzamide
CID 81477714
2-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115629960
N-(5-amino-4-methyl-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 106547271) is 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is Cc1cn[nH]c1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is ZHOSWODUCUWYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-6-5-14-16-10(6)15-11(17)7-3-2-4-8(12)9(7)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 298.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 106547271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).