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

C13H13BrFN3O — CID 47404888

IUPAC4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccc(Br)cc2F)n[nH]1
InChIInChI=1S/C13H13BrFN3O/c1-7(2)11-6-12(18-17-11)16-13(19)9-4-3-8(14)5-10(9)15/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyIWEZULUXSUXTOT-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.69
Rot. Bonds3

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

4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 47404888) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID47404888
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccc(Br)cc2F)n[nH]1
InChIInChI=1S/C13H13BrFN3O/c1-7(2)11-6-12(18-17-11)16-13(19)9-4-3-8(14)5-10(9)15/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyIWEZULUXSUXTOT-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610368
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610359
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320
6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 113342682

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 47404888) is 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2ccc(Br)cc2F)n[nH]1.
What is the InChIKey of 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is IWEZULUXSUXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-7(2)11-6-12(18-17-11)16-13(19)9-4-3-8(14)5-10(9)15/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 326.17 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 47404888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).