5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole

C15H18BrN3O — CID 84610599

IUPAC5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole
SMILESCOc1ccc(-c2cc(C3CCCN3)nn2C)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-19-14(9-13(18-19)12-4-3-7-17-12)10-5-6-15(20-2)11(16)8-10/h5-6,8-9,12,17H,3-4,7H2,1-2H3
InChIKeyMGYWROXBDJEHKX-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.28
Rot. Bonds3

About 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole

5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole (PubChem CID 84610599) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole
PubChem CID84610599
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole
SMILESCOc1ccc(-c2cc(C3CCCN3)nn2C)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-19-14(9-13(18-19)12-4-3-7-17-12)10-5-6-15(20-2)11(16)8-10/h5-6,8-9,12,17H,3-4,7H2,1-2H3
InChIKeyMGYWROXBDJEHKX-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 102567910
4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole
CID 84610606
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
3-(3-bromo-4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 106950858
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole (CID 84610599) is 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole is COc1ccc(-c2cc(C3CCCN3)nn2C)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole?
The InChIKey is MGYWROXBDJEHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-19-14(9-13(18-19)12-4-3-7-17-12)10-5-6-15(20-2)11(16)8-10/h5-6,8-9,12,17H,3-4,7H2,1-2H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole?
5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole has a molecular weight of 336.23 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 84610599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).