1-(1,5-dimethylpyrazol-3-yl)hexan-2-one

C11H18N2O — CID 58269992

IUPAC1-(1,5-dimethylpyrazol-3-yl)hexan-2-one
SMILESCCCCC(=O)Cc1cc(C)n(C)n1
InChIInChI=1S/C11H18N2O/c1-4-5-6-11(14)8-10-7-9(2)13(3)12-10/h7H,4-6,8H2,1-3H3
InChIKeyFFFZRYGHHIPWMX-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.03
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one

1-(1,5-dimethylpyrazol-3-yl)hexan-2-one (PubChem CID 58269992) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)hexan-2-one
PubChem CID58269992
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)hexan-2-one
SMILESCCCCC(=O)Cc1cc(C)n(C)n1
InChIInChI=1S/C11H18N2O/c1-4-5-6-11(14)8-10-7-9(2)13(3)12-10/h7H,4-6,8H2,1-3H3
InChIKeyFFFZRYGHHIPWMX-UHFFFAOYSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
1-(4-bromo-1,3-dimethylpyrazol-5-yl)hexan-2-one
CID 79404360
1-(1,3,5-trimethylpyrazol-4-yl)undecan-2-one
CID 105086358
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
pentane;1,3,5-trimethylpyrazole
CID 143472504
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methylhydroxylamine
CID 82595635
butane;hexane;1,3,5-trimethylpyrazole
CID 176922404
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
3-(iodomethyl)-1,5-dimethylpyrazole
CID 90127080
(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
CID 45157159
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
CID 91313387

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one (CID 58269992) is 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one is CCCCC(=O)Cc1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one?
The InChIKey is FFFZRYGHHIPWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-6-11(14)8-10-7-9(2)13(3)12-10/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one?
1-(1,5-dimethylpyrazol-3-yl)hexan-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)hexan-2-one is sourced from PubChem (CID 58269992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).