1-(4-bromo-2-methylphenyl)pyrazole

C10H9BrN2 — CID 75422432

IUPAC1-(4-bromo-2-methylphenyl)pyrazole
SMILESCc1cc(Br)ccc1-n1cccn1
InChIInChI=1S/C10H9BrN2/c1-8-7-9(11)3-4-10(8)13-6-2-5-12-13/h2-7H,1H3
InChIKeyQUZDFTSXLKGXGF-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.94
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)pyrazole

1-(4-bromo-2-methylphenyl)pyrazole (PubChem CID 75422432) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)pyrazole
PubChem CID75422432
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name1-(4-bromo-2-methylphenyl)pyrazole
SMILESCc1cc(Br)ccc1-n1cccn1
InChIInChI=1S/C10H9BrN2/c1-8-7-9(11)3-4-10(8)13-6-2-5-12-13/h2-7H,1H3
InChIKeyQUZDFTSXLKGXGF-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-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 1-(4-bromo-2-methylphenyl)pyrazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)pyrazole (CID 75422432) is 1-(4-bromo-2-methylphenyl)pyrazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)pyrazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)pyrazole is Cc1cc(Br)ccc1-n1cccn1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)pyrazole?
The InChIKey is QUZDFTSXLKGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-8-7-9(11)3-4-10(8)13-6-2-5-12-13/h2-7H,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)pyrazole?
1-(4-bromo-2-methylphenyl)pyrazole has a molecular weight of 237.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)pyrazole is sourced from PubChem (CID 75422432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).