1-dodecyl-3,5-dimethylpyrazole

C17H32N2 — CID 573082

IUPAC1-dodecyl-3,5-dimethylpyrazole
SMILESCCCCCCCCCCCCn1nc(C)cc1C
InChIInChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(3)15-16(2)18-19/h15H,4-14H2,1-3H3
InChIKeyBXYFENZNKPBVNG-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.42
Rot. Bonds11

About 1-dodecyl-3,5-dimethylpyrazole

1-dodecyl-3,5-dimethylpyrazole (PubChem CID 573082) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-dodecyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-dodecyl-3,5-dimethylpyrazole
PubChem CID573082
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-dodecyl-3,5-dimethylpyrazole
SMILESCCCCCCCCCCCCn1nc(C)cc1C
InChIInChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(3)15-16(2)18-19/h15H,4-14H2,1-3H3
InChIKeyBXYFENZNKPBVNG-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.42
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-dodecyl-3,5-dimethylpyrazole?
The IUPAC name of 1-dodecyl-3,5-dimethylpyrazole (CID 573082) is 1-dodecyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-dodecyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-dodecyl-3,5-dimethylpyrazole is CCCCCCCCCCCCn1nc(C)cc1C.
What is the InChIKey of 1-dodecyl-3,5-dimethylpyrazole?
The InChIKey is BXYFENZNKPBVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(3)15-16(2)18-19/h15H,4-14H2,1-3H3.
What are the key properties of 1-dodecyl-3,5-dimethylpyrazole?
1-dodecyl-3,5-dimethylpyrazole has a molecular weight of 264.46 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3,5-dimethylpyrazole is sourced from PubChem (CID 573082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).