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

C10H7BrFN3O — CID 61393796

IUPAC3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H7BrFN3O/c11-7-3-6(4-8(12)5-7)10(16)14-9-1-2-13-15-9/h1-5H,(H2,13,14,15,16)
InChIKeySECPOBLXACGSHP-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.56
Rot. Bonds2

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

3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61393796) has the molecular formula C10H7BrFN3O and a molecular weight of 284.09 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61393796
Molecular FormulaC10H7BrFN3O
Molecular Weight284.09 g/mol
Exact Mass282.98
IUPAC Name3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccn[nH]1)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H7BrFN3O/c11-7-3-6(4-8(12)5-7)10(16)14-9-1-2-13-15-9/h1-5H,(H2,13,14,15,16)
InChIKeySECPOBLXACGSHP-UHFFFAOYSA-N
XLogP2.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
2-N-hydroxy-7-N-(1H-pyrazol-5-yl)naphthalene-2,7-dicarboxamide
CID 25256604
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
2,4-difluoro-6-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 47466440
4-fluoro-2-hydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103829854
4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
CID 47388348
5-bromo-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 55209020
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763
3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928260
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
5-amino-2-bromo-4-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 62815610
N-(1H-pyrazol-5-yl)naphthalene-2-carboxamide
CID 61393106

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide (CID 61393796) is 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide is O=C(Nc1ccn[nH]1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is SECPOBLXACGSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O/c11-7-3-6(4-8(12)5-7)10(16)14-9-1-2-13-15-9/h1-5H,(H2,13,14,15,16).
What are the key properties of 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide?
3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 284.09 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61393796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).