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

C15H18BrN3 — CID 84604273

IUPAC4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole
SMILESCc1cccc(-c2nn(C)c(C3CCCN3)c2Br)c1
InChIInChI=1S/C15H18BrN3/c1-10-5-3-6-11(9-10)14-13(16)15(19(2)18-14)12-7-4-8-17-12/h3,5-6,9,12,17H,4,7-8H2,1-2H3
InChIKeySKLLHPIKAHWINK-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.58
Rot. Bonds2

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

4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole (PubChem CID 84604273) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole
PubChem CID84604273
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole
SMILESCc1cccc(-c2nn(C)c(C3CCCN3)c2Br)c1
InChIInChI=1S/C15H18BrN3/c1-10-5-3-6-11(9-10)14-13(16)15(19(2)18-14)12-7-4-8-17-12/h3,5-6,9,12,17H,4,7-8H2,1-2H3
InChIKeySKLLHPIKAHWINK-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole
CID 84610606
4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
CID 83739505
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604305
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
(2R)-2-(3-methylphenyl)azepane
CID 7048257
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604286
3-bromo-1-methyl-5-(3-methylphenyl)-1,2,4-triazole
CID 84707601
2,7-dimethyl-3-pyrrolidin-2-ylimidazo[1,2-a]pyridine
CID 83835697

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole (CID 84604273) is 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole is Cc1cccc(-c2nn(C)c(C3CCCN3)c2Br)c1.
What is the InChIKey of 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole?
The InChIKey is SKLLHPIKAHWINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-5-3-6-11(9-10)14-13(16)15(19(2)18-14)12-7-4-8-17-12/h3,5-6,9,12,17H,4,7-8H2,1-2H3.
What are the key properties of 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole?
4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole has a molecular weight of 320.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 84604273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).