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

C10H9BrN2 — CID 59774117

IUPAC4-bromo-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C10H9BrN2/c1-8-4-2-3-5-10(8)13-7-9(11)6-12-13/h2-7H,1H3
InChIKeyHMULFHZEMGDGLG-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.94
Rot. Bonds1

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

4-bromo-1-(2-methylphenyl)pyrazole (PubChem CID 59774117) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 4-bromo-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methylphenyl)pyrazole
PubChem CID59774117
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name4-bromo-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C10H9BrN2/c1-8-4-2-3-5-10(8)13-7-9(11)6-12-13/h2-7H,1H3
InChIKeyHMULFHZEMGDGLG-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methylphenyl)pyrazole?
The IUPAC name of 4-bromo-1-(2-methylphenyl)pyrazole (CID 59774117) is 4-bromo-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 4-bromo-1-(2-methylphenyl)pyrazole is Cc1ccccc1-n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(2-methylphenyl)pyrazole?
The InChIKey is HMULFHZEMGDGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-8-4-2-3-5-10(8)13-7-9(11)6-12-13/h2-7H,1H3.
What are the key properties of 4-bromo-1-(2-methylphenyl)pyrazole?
4-bromo-1-(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 4-bromo-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 59774117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).