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

C15H18BrN3O — CID 84610606

IUPAC4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole
SMILESCOc1ccc(-c2nn(C)c(C3CCCN3)c2Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-19-15(12-4-3-9-17-12)13(16)14(18-19)10-5-7-11(20-2)8-6-10/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyFJLQWAGKCLCWEZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.28
Rot. Bonds3

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

4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole (PubChem CID 84610606) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole
PubChem CID84610606
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole
SMILESCOc1ccc(-c2nn(C)c(C3CCCN3)c2Br)cc1
InChIInChI=1S/C15H18BrN3O/c1-19-15(12-4-3-9-17-12)13(16)14(18-19)10-5-7-11(20-2)8-6-10/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyFJLQWAGKCLCWEZ-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

4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole
CID 84604273
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
4-bromo-1-cyclobutyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 22725477
4-bromo-5-(4-methoxyphenyl)-2-methylpyrazole-3-carbaldehyde
CID 88860665
5-(3-bromo-4-methoxyphenyl)-1-methyl-3-pyrrolidin-2-ylpyrazole
CID 84610599
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
5-methoxy-1-methyl-3-piperidin-2-ylindazole
CID 82622650
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole (CID 84610606) is 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole is COc1ccc(-c2nn(C)c(C3CCCN3)c2Br)cc1.
What is the InChIKey of 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole?
The InChIKey is FJLQWAGKCLCWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-19-15(12-4-3-9-17-12)13(16)14(18-19)10-5-7-11(20-2)8-6-10/h5-8,12,17H,3-4,9H2,1-2H3.
What are the key properties of 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole?
4-bromo-3-(4-methoxyphenyl)-1-methyl-5-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 4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 84610606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).