1-decylpyrazole

C13H24N2 — CID 10889133

IUPAC1-decylpyrazole
SMILESCCCCCCCCCCn1cccn1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h10-11,13H,2-9,12H2,1H3
InChIKeyURNCKWBXSDJKIN-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.02
Rot. Bonds9

About 1-decylpyrazole

1-decylpyrazole (PubChem CID 10889133) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-decylpyrazole.

Molecular Properties

Compound Name1-decylpyrazole
PubChem CID10889133
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-decylpyrazole
SMILESCCCCCCCCCCn1cccn1
InChIInChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h10-11,13H,2-9,12H2,1H3
InChIKeyURNCKWBXSDJKIN-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.02
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 1-decylpyrazole?
The IUPAC name of 1-decylpyrazole (CID 10889133) is 1-decylpyrazole.
What is the SMILES notation for 1-decylpyrazole?
The canonical SMILES for 1-decylpyrazole is CCCCCCCCCCn1cccn1.
What is the InChIKey of 1-decylpyrazole?
The InChIKey is URNCKWBXSDJKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 1-decylpyrazole?
1-decylpyrazole has a molecular weight of 208.35 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylpyrazole is sourced from PubChem (CID 10889133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).