3-bromo-1-cyclopentyl-4-methylpyrazole

C9H13BrN2 — CID 130138859

IUPAC3-bromo-1-cyclopentyl-4-methylpyrazole
SMILESCc1cn(C2CCCC2)nc1Br
InChIInChI=1S/C9H13BrN2/c1-7-6-12(11-9(7)10)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyYCUIXJNJKPEEFM-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.07
Rot. Bonds1

About 3-bromo-1-cyclopentyl-4-methylpyrazole

3-bromo-1-cyclopentyl-4-methylpyrazole (PubChem CID 130138859) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 3-bromo-1-cyclopentyl-4-methylpyrazole.

Molecular Properties

Compound Name3-bromo-1-cyclopentyl-4-methylpyrazole
PubChem CID130138859
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name3-bromo-1-cyclopentyl-4-methylpyrazole
SMILESCc1cn(C2CCCC2)nc1Br
InChIInChI=1S/C9H13BrN2/c1-7-6-12(11-9(7)10)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyYCUIXJNJKPEEFM-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclopentyl-4-methylpyrazole?
The IUPAC name of 3-bromo-1-cyclopentyl-4-methylpyrazole (CID 130138859) is 3-bromo-1-cyclopentyl-4-methylpyrazole.
What is the SMILES notation for 3-bromo-1-cyclopentyl-4-methylpyrazole?
The canonical SMILES for 3-bromo-1-cyclopentyl-4-methylpyrazole is Cc1cn(C2CCCC2)nc1Br.
What is the InChIKey of 3-bromo-1-cyclopentyl-4-methylpyrazole?
The InChIKey is YCUIXJNJKPEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-7-6-12(11-9(7)10)8-4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 3-bromo-1-cyclopentyl-4-methylpyrazole?
3-bromo-1-cyclopentyl-4-methylpyrazole has a molecular weight of 229.12 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopentyl-4-methylpyrazole is sourced from PubChem (CID 130138859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).