3-bromo-5-methyl-1-(2-methylphenyl)pyrazole

C11H11BrN2 — CID 59022551

IUPAC3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1nc(Br)cc1C
InChIInChI=1S/C11H11BrN2/c1-8-5-3-4-6-10(8)14-9(2)7-11(12)13-14/h3-7H,1-2H3
InChIKeyNPNANDDMKAIALF-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.25
Rot. Bonds1

About 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole

3-bromo-5-methyl-1-(2-methylphenyl)pyrazole (PubChem CID 59022551) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
PubChem CID59022551
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
SMILESCc1ccccc1-n1nc(Br)cc1C
InChIInChI=1S/C11H11BrN2/c1-8-5-3-4-6-10(8)14-9(2)7-11(12)13-14/h3-7H,1-2H3
InChIKeyNPNANDDMKAIALF-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole?
The IUPAC name of 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole (CID 59022551) is 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole is Cc1ccccc1-n1nc(Br)cc1C.
What is the InChIKey of 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole?
The InChIKey is NPNANDDMKAIALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-8-5-3-4-6-10(8)14-9(2)7-11(12)13-14/h3-7H,1-2H3.
What are the key properties of 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole?
3-bromo-5-methyl-1-(2-methylphenyl)pyrazole has a molecular weight of 251.13 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 59022551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).