5-(3-bromophenyl)-1,3-dimethylpyrazole

C11H11BrN2 — CID 116856814

IUPAC5-(3-bromophenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2cccc(Br)c2)n(C)n1
InChIInChI=1S/C11H11BrN2/c1-8-6-11(14(2)13-8)9-4-3-5-10(12)7-9/h3-7H,1-2H3
InChIKeyWSUWGOIASVGLKI-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.16
Rot. Bonds1

About 5-(3-bromophenyl)-1,3-dimethylpyrazole

5-(3-bromophenyl)-1,3-dimethylpyrazole (PubChem CID 116856814) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-1,3-dimethylpyrazole
PubChem CID116856814
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name5-(3-bromophenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2cccc(Br)c2)n(C)n1
InChIInChI=1S/C11H11BrN2/c1-8-6-11(14(2)13-8)9-4-3-5-10(12)7-9/h3-7H,1-2H3
InChIKeyWSUWGOIASVGLKI-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(3-bromophenyl)-1,3-dimethylpyrazole (CID 116856814) is 5-(3-bromophenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(3-bromophenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(3-bromophenyl)-1,3-dimethylpyrazole is Cc1cc(-c2cccc(Br)c2)n(C)n1.
What is the InChIKey of 5-(3-bromophenyl)-1,3-dimethylpyrazole?
The InChIKey is WSUWGOIASVGLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-8-6-11(14(2)13-8)9-4-3-5-10(12)7-9/h3-7H,1-2H3.
What are the key properties of 5-(3-bromophenyl)-1,3-dimethylpyrazole?
5-(3-bromophenyl)-1,3-dimethylpyrazole has a molecular weight of 251.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 116856814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).