1-(3,5-dimethylpyrazol-1-yl)nonan-1-one

C14H24N2O — CID 3287387

IUPAC1-(3,5-dimethylpyrazol-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)n1nc(C)cc1C
InChIInChI=1S/C14H24N2O/c1-4-5-6-7-8-9-10-14(17)16-13(3)11-12(2)15-16/h11H,4-10H2,1-3H3
InChIKeyBDQXBXMVKXGPRN-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.89
Rot. Bonds7

About 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one

1-(3,5-dimethylpyrazol-1-yl)nonan-1-one (PubChem CID 3287387) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)nonan-1-one
PubChem CID3287387
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)nonan-1-one
SMILESCCCCCCCCC(=O)n1nc(C)cc1C
InChIInChI=1S/C14H24N2O/c1-4-5-6-7-8-9-10-14(17)16-13(3)11-12(2)15-16/h11H,4-10H2,1-3H3
InChIKeyBDQXBXMVKXGPRN-UHFFFAOYSA-N
XLogP3.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.89
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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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-6-oxohexyl]benzamide
CID 6486736
2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 12791875
butane;hexane;1,3,5-trimethylpyrazole
CID 176922404
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 675703
1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one
CID 86062361
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
CID 91313387
2-hexadecanoyl-1,2,4-triazole-3-carboxamide
CID 71383350
1-[2-decylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
CID 102596428
2-(2-bromo-4-ethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 833448
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 6499812
1-[3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one
CID 3643520
pentane;1,3,5-trimethylpyrazole
CID 143472504

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one (CID 3287387) is 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one is CCCCCCCCC(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one?
The InChIKey is BDQXBXMVKXGPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-6-7-8-9-10-14(17)16-13(3)11-12(2)15-16/h11H,4-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one?
1-(3,5-dimethylpyrazol-1-yl)nonan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)nonan-1-one is sourced from PubChem (CID 3287387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).