3,5-dimethyl-1-octylpyrazole

C13H24N2 — CID 573081

IUPAC3,5-dimethyl-1-octylpyrazole
SMILESCCCCCCCCn1nc(C)cc1C
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-15-13(3)11-12(2)14-15/h11H,4-10H2,1-3H3
InChIKeyBCDZDZCKKMRPKF-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.86
Rot. Bonds7

About 3,5-dimethyl-1-octylpyrazole

3,5-dimethyl-1-octylpyrazole (PubChem CID 573081) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3,5-dimethyl-1-octylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-octylpyrazole
PubChem CID573081
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3,5-dimethyl-1-octylpyrazole
SMILESCCCCCCCCn1nc(C)cc1C
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-15-13(3)11-12(2)14-15/h11H,4-10H2,1-3H3
InChIKeyBCDZDZCKKMRPKF-UHFFFAOYSA-N
XLogP3.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.86
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 3,5-dimethyl-1-octylpyrazole?
The IUPAC name of 3,5-dimethyl-1-octylpyrazole (CID 573081) is 3,5-dimethyl-1-octylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-octylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-octylpyrazole is CCCCCCCCn1nc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-1-octylpyrazole?
The InChIKey is BCDZDZCKKMRPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-15-13(3)11-12(2)14-15/h11H,4-10H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-octylpyrazole?
3,5-dimethyl-1-octylpyrazole has a molecular weight of 208.35 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-octylpyrazole is sourced from PubChem (CID 573081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).