5-bromo-3-cyclopropyl-1-ethylpyrazole

C8H11BrN2 — CID 130115875

IUPAC5-bromo-3-cyclopropyl-1-ethylpyrazole
SMILESCCn1nc(C2CC2)cc1Br
InChIInChI=1S/C8H11BrN2/c1-2-11-8(9)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyPVEMCLIHZKCVMP-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.54
Rot. Bonds2

About 5-bromo-3-cyclopropyl-1-ethylpyrazole

5-bromo-3-cyclopropyl-1-ethylpyrazole (PubChem CID 130115875) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-1-ethylpyrazole.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-1-ethylpyrazole
PubChem CID130115875
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name5-bromo-3-cyclopropyl-1-ethylpyrazole
SMILESCCn1nc(C2CC2)cc1Br
InChIInChI=1S/C8H11BrN2/c1-2-11-8(9)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyPVEMCLIHZKCVMP-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropyl-1-ethylpyrazole?
The IUPAC name of 5-bromo-3-cyclopropyl-1-ethylpyrazole (CID 130115875) is 5-bromo-3-cyclopropyl-1-ethylpyrazole.
What is the SMILES notation for 5-bromo-3-cyclopropyl-1-ethylpyrazole?
The canonical SMILES for 5-bromo-3-cyclopropyl-1-ethylpyrazole is CCn1nc(C2CC2)cc1Br.
What is the InChIKey of 5-bromo-3-cyclopropyl-1-ethylpyrazole?
The InChIKey is PVEMCLIHZKCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-2-11-8(9)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-3-cyclopropyl-1-ethylpyrazole?
5-bromo-3-cyclopropyl-1-ethylpyrazole has a molecular weight of 215.09 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-1-ethylpyrazole is sourced from PubChem (CID 130115875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).