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

C15H18BrN3 — CID 84604265

IUPAC4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
SMILESCc1ccc(-c2c(Br)c(C3CCCN3)nn2C)cc1
InChIInChI=1S/C15H18BrN3/c1-10-5-7-11(8-6-10)15-13(16)14(18-19(15)2)12-4-3-9-17-12/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyPMLZQIZFESTEKM-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.58
Rot. Bonds2

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

4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole (PubChem CID 84604265) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
PubChem CID84604265
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
SMILESCc1ccc(-c2c(Br)c(C3CCCN3)nn2C)cc1
InChIInChI=1S/C15H18BrN3/c1-10-5-7-11(8-6-10)15-13(16)14(18-19(15)2)12-4-3-9-17-12/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyPMLZQIZFESTEKM-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

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

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

Launch Full Analysis

Related Compounds

4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole
CID 84604273
4-fluoro-1,5-dimethyl-3-pyrrolidin-2-ylpyrazole
CID 89231145
4-bromo-3-(4-methoxyphenyl)-1-methyl-5-pyrrolidin-2-ylpyrazole
CID 84610606
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
CID 69202900
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 95566954
4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271379
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
CID 84642527
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole (CID 84604265) is 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole is Cc1ccc(-c2c(Br)c(C3CCCN3)nn2C)cc1.
What is the InChIKey of 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole?
The InChIKey is PMLZQIZFESTEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-5-7-11(8-6-10)15-13(16)14(18-19(15)2)12-4-3-9-17-12/h5-8,12,17H,3-4,9H2,1-2H3.
What are the key properties of 4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole?
4-bromo-1-methyl-5-(4-methylphenyl)-3-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-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 84604265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).