1-pyrazol-1-yldecan-1-one

C13H22N2O — CID 3713508

IUPAC1-pyrazol-1-yldecan-1-one
SMILESCCCCCCCCCC(=O)n1cccn1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14-15/h9,11-12H,2-8,10H2,1H3
InChIKeySAXDAFPRMXVMHV-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.66
Rot. Bonds8

About 1-pyrazol-1-yldecan-1-one

1-pyrazol-1-yldecan-1-one (PubChem CID 3713508) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-pyrazol-1-yldecan-1-one.

Molecular Properties

Compound Name1-pyrazol-1-yldecan-1-one
PubChem CID3713508
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-pyrazol-1-yldecan-1-one
SMILESCCCCCCCCCC(=O)n1cccn1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14-15/h9,11-12H,2-8,10H2,1H3
InChIKeySAXDAFPRMXVMHV-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-pyrazol-1-yldecan-1-one?
The IUPAC name of 1-pyrazol-1-yldecan-1-one (CID 3713508) is 1-pyrazol-1-yldecan-1-one.
What is the SMILES notation for 1-pyrazol-1-yldecan-1-one?
The canonical SMILES for 1-pyrazol-1-yldecan-1-one is CCCCCCCCCC(=O)n1cccn1.
What is the InChIKey of 1-pyrazol-1-yldecan-1-one?
The InChIKey is SAXDAFPRMXVMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14-15/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 1-pyrazol-1-yldecan-1-one?
1-pyrazol-1-yldecan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yldecan-1-one is sourced from PubChem (CID 3713508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).