1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one

C15H25N3O — CID 79044913

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
SMILESCc1cc(CC(=O)C(C)(C)N2CCCCC2)n(C)n1
InChIInChI=1S/C15H25N3O/c1-12-10-13(17(4)16-12)11-14(19)15(2,3)18-8-6-5-7-9-18/h10H,5-9,11H2,1-4H3
InChIKeyYSZQAAMLXLTCRA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.10
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one (PubChem CID 79044913) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
PubChem CID79044913
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
SMILESCc1cc(CC(=O)C(C)(C)N2CCCCC2)n(C)n1
InChIInChI=1S/C15H25N3O/c1-12-10-13(17(4)16-12)11-14(19)15(2,3)18-8-6-5-7-9-18/h10H,5-9,11H2,1-4H3
InChIKeyYSZQAAMLXLTCRA-UHFFFAOYSA-N
XLogP2.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one (CID 79044913) is 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one is Cc1cc(CC(=O)C(C)(C)N2CCCCC2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one?
The InChIKey is YSZQAAMLXLTCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-10-13(17(4)16-12)11-14(19)15(2,3)18-8-6-5-7-9-18/h10H,5-9,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 79044913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).