5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole

C11H15BrN2 — CID 166372471

IUPAC5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole
SMILESCc1c(Br)nn(C)c1C1C2CCCC21
InChIInChI=1S/C11H15BrN2/c1-6-10(14(2)13-11(6)12)9-7-4-3-5-8(7)9/h7-9H,3-5H2,1-2H3
InChIKeyYABTXEZRTUGGPU-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.00
Rot. Bonds1

About 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole

5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole (PubChem CID 166372471) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole
PubChem CID166372471
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole
SMILESCc1c(Br)nn(C)c1C1C2CCCC21
InChIInChI=1S/C11H15BrN2/c1-6-10(14(2)13-11(6)12)9-7-4-3-5-8(7)9/h7-9H,3-5H2,1-2H3
InChIKeyYABTXEZRTUGGPU-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole?
The IUPAC name of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole (CID 166372471) is 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole.
What is the SMILES notation for 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole?
The canonical SMILES for 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole is Cc1c(Br)nn(C)c1C1C2CCCC21.
What is the InChIKey of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole?
The InChIKey is YABTXEZRTUGGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-6-10(14(2)13-11(6)12)9-7-4-3-5-8(7)9/h7-9H,3-5H2,1-2H3.
What are the key properties of 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole?
5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole has a molecular weight of 255.16 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bicyclo[3.1.0]hexanyl)-3-bromo-1,4-dimethylpyrazole is sourced from PubChem (CID 166372471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).