4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole

C12H13BrN2 — CID 83739505

IUPAC4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2nn(C)c(C)c2Br)c1
InChIInChI=1S/C12H13BrN2/c1-8-5-4-6-10(7-8)12-11(13)9(2)15(3)14-12/h4-7H,1-3H3
InChIKeyVHNXOVQPNOJTHA-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.47
Rot. Bonds1

About 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole

4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole (PubChem CID 83739505) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
PubChem CID83739505
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2nn(C)c(C)c2Br)c1
InChIInChI=1S/C12H13BrN2/c1-8-5-4-6-10(7-8)12-11(13)9(2)15(3)14-12/h4-7H,1-3H3
InChIKeyVHNXOVQPNOJTHA-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole 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-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole?
The IUPAC name of 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole (CID 83739505) is 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole?
The canonical SMILES for 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole is Cc1cccc(-c2nn(C)c(C)c2Br)c1.
What is the InChIKey of 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole?
The InChIKey is VHNXOVQPNOJTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-8-5-4-6-10(7-8)12-11(13)9(2)15(3)14-12/h4-7H,1-3H3.
What are the key properties of 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole?
4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole has a molecular weight of 265.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-3-(3-methylphenyl)pyrazole is sourced from PubChem (CID 83739505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).