5-bromo-1-cyclohexyl-3-methylpyrazole

C10H15BrN2 — CID 82386636

IUPAC5-bromo-1-cyclohexyl-3-methylpyrazole
SMILESCc1cc(Br)n(C2CCCCC2)n1
InChIInChI=1S/C10H15BrN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyWZDOBIXVFABUDP-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.46
Rot. Bonds1

About 5-bromo-1-cyclohexyl-3-methylpyrazole

5-bromo-1-cyclohexyl-3-methylpyrazole (PubChem CID 82386636) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-bromo-1-cyclohexyl-3-methylpyrazole.

Molecular Properties

Compound Name5-bromo-1-cyclohexyl-3-methylpyrazole
PubChem CID82386636
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-bromo-1-cyclohexyl-3-methylpyrazole
SMILESCc1cc(Br)n(C2CCCCC2)n1
InChIInChI=1S/C10H15BrN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyWZDOBIXVFABUDP-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclohexyl-3-methylpyrazole?
The IUPAC name of 5-bromo-1-cyclohexyl-3-methylpyrazole (CID 82386636) is 5-bromo-1-cyclohexyl-3-methylpyrazole.
What is the SMILES notation for 5-bromo-1-cyclohexyl-3-methylpyrazole?
The canonical SMILES for 5-bromo-1-cyclohexyl-3-methylpyrazole is Cc1cc(Br)n(C2CCCCC2)n1.
What is the InChIKey of 5-bromo-1-cyclohexyl-3-methylpyrazole?
The InChIKey is WZDOBIXVFABUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 5-bromo-1-cyclohexyl-3-methylpyrazole?
5-bromo-1-cyclohexyl-3-methylpyrazole has a molecular weight of 243.15 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclohexyl-3-methylpyrazole is sourced from PubChem (CID 82386636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).