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

C13H13BrFN3O — CID 112690348

IUPAC5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(Br)ccc2F)n[nH]1
InChIInChI=1S/C13H13BrFN3O/c1-2-3-9-7-12(18-17-9)16-13(19)10-6-8(14)4-5-11(10)15/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyZXJZEHABZJSBMH-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.52
Rot. Bonds4

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

5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 112690348) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID112690348
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(Br)ccc2F)n[nH]1
InChIInChI=1S/C13H13BrFN3O/c1-2-3-9-7-12(18-17-9)16-13(19)10-6-8(14)4-5-11(10)15/h4-7H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyZXJZEHABZJSBMH-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115686752
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104853008
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 112690348) is 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2cc(Br)ccc2F)n[nH]1.
What is the InChIKey of 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is ZXJZEHABZJSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-2-3-9-7-12(18-17-9)16-13(19)10-6-8(14)4-5-11(10)15/h4-7H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 326.17 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 112690348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).