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

C15H18BrN3 — CID 84604209

IUPAC4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole
SMILESCc1cc(-c2cn(C3CCNC3)nc2C)ccc1Br
InChIInChI=1S/C15H18BrN3/c1-10-7-12(3-4-15(10)16)14-9-19(18-11(14)2)13-5-6-17-8-13/h3-4,7,9,13,17H,5-6,8H2,1-2H3
InChIKeyYYZPXUPWEXZLEP-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.46
Rot. Bonds2

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

4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole (PubChem CID 84604209) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole
PubChem CID84604209
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole
SMILESCc1cc(-c2cn(C3CCNC3)nc2C)ccc1Br
InChIInChI=1S/C15H18BrN3/c1-10-7-12(3-4-15(10)16)14-9-19(18-11(14)2)13-5-6-17-8-13/h3-4,7,9,13,17H,5-6,8H2,1-2H3
InChIKeyYYZPXUPWEXZLEP-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole (CID 84604209) is 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole is Cc1cc(-c2cn(C3CCNC3)nc2C)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole?
The InChIKey is YYZPXUPWEXZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-7-12(3-4-15(10)16)14-9-19(18-11(14)2)13-5-6-17-8-13/h3-4,7,9,13,17H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole?
4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole has a molecular weight of 320.23 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 84604209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).