1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione

C15H24N2O2 — CID 65197297

IUPAC1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione
SMILESCCCCCCCC(=O)CC(=O)c1cn(C)nc1C
InChIInChI=1S/C15H24N2O2/c1-4-5-6-7-8-9-13(18)10-15(19)14-11-17(3)16-12(14)2/h11H,4-10H2,1-3H3
InChIKeyIEYIJMJSTDSFIJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.23
Rot. Bonds9

About 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione

1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione (PubChem CID 65197297) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione
PubChem CID65197297
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione
SMILESCCCCCCCC(=O)CC(=O)c1cn(C)nc1C
InChIInChI=1S/C15H24N2O2/c1-4-5-6-7-8-9-13(18)10-15(19)14-11-17(3)16-12(14)2/h11H,4-10H2,1-3H3
InChIKeyIEYIJMJSTDSFIJ-UHFFFAOYSA-N
XLogP3.23
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-5-methoxypentane-1,3-dione
CID 65197098
1-(3-ethyl-1-methylpyrazol-4-yl)octan-1-one
CID 102811654
4-(1,3-dimethylpyrazol-4-yl)-4-oxobutanoic acid
CID 83091303
1-[4-(3-oxononanoyl)phenyl]nonane-1,3-dione
CID 101015760
1-(2,4-dimethylphenyl)decane-1,3-dione
CID 43321493
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
CID 91313387
propyl 4-(1,3-dimethylpyrazol-4-yl)-4-oxobutanoate
CID 83091822
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
heptacosane-10,12-dione
CID 14235516
1-(1,3,5-trimethylpyrazol-4-yl)undecan-2-one
CID 105086358
1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylhexan-1-one
CID 134301353
3-methyl-1-octylpyrazole-4-carboxylic acid
CID 14277915

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione (CID 65197297) is 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione is CCCCCCCC(=O)CC(=O)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione?
The InChIKey is IEYIJMJSTDSFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-6-7-8-9-13(18)10-15(19)14-11-17(3)16-12(14)2/h11H,4-10H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione?
1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione has a molecular weight of 264.37 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione is sourced from PubChem (CID 65197297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).