4-bromo-1-decyl-3,5-dimethylpyrazole

C15H27BrN2 — CID 63428341

IUPAC4-bromo-1-decyl-3,5-dimethylpyrazole
SMILESCCCCCCCCCCn1nc(C)c(Br)c1C
InChIInChI=1S/C15H27BrN2/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(16)13(2)17-18/h4-12H2,1-3H3
InChIKeyJZBDDMXRLXLSTH-UHFFFAOYSA-N
MW315.30 g/mol
LogP5.40
Rot. Bonds9

About 4-bromo-1-decyl-3,5-dimethylpyrazole

4-bromo-1-decyl-3,5-dimethylpyrazole (PubChem CID 63428341) has the molecular formula C15H27BrN2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-bromo-1-decyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-decyl-3,5-dimethylpyrazole
PubChem CID63428341
Molecular FormulaC15H27BrN2
Molecular Weight315.30 g/mol
Exact Mass314.14
IUPAC Name4-bromo-1-decyl-3,5-dimethylpyrazole
SMILESCCCCCCCCCCn1nc(C)c(Br)c1C
InChIInChI=1S/C15H27BrN2/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(16)13(2)17-18/h4-12H2,1-3H3
InChIKeyJZBDDMXRLXLSTH-UHFFFAOYSA-N
XLogP5.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.30
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-decyl-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-decyl-3,5-dimethylpyrazole (CID 63428341) is 4-bromo-1-decyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-decyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-decyl-3,5-dimethylpyrazole is CCCCCCCCCCn1nc(C)c(Br)c1C.
What is the InChIKey of 4-bromo-1-decyl-3,5-dimethylpyrazole?
The InChIKey is JZBDDMXRLXLSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2/c1-4-5-6-7-8-9-10-11-12-18-14(3)15(16)13(2)17-18/h4-12H2,1-3H3.
What are the key properties of 4-bromo-1-decyl-3,5-dimethylpyrazole?
4-bromo-1-decyl-3,5-dimethylpyrazole has a molecular weight of 315.30 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-decyl-3,5-dimethylpyrazole is sourced from PubChem (CID 63428341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).