cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone

C17H27N3O3S — CID 16801480

IUPACcyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O3S/c1-13-16(24(22,23)19-11-7-4-8-12-19)14(2)20(18-13)17(21)15-9-5-3-6-10-15/h15H,3-12H2,1-2H3
InChIKeyMJTOVFDBDMIAIT-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.90
Rot. Bonds3

About cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone

cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone (PubChem CID 16801480) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone
PubChem CID16801480
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Namecyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H27N3O3S/c1-13-16(24(22,23)19-11-7-4-8-12-19)14(2)20(18-13)17(21)15-9-5-3-6-10-15/h15H,3-12H2,1-2H3
InChIKeyMJTOVFDBDMIAIT-UHFFFAOYSA-N
XLogP2.90
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone?
The IUPAC name of cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone (CID 16801480) is cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone?
The canonical SMILES for cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone is Cc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone?
The InChIKey is MJTOVFDBDMIAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-16(24(22,23)19-11-7-4-8-12-19)14(2)20(18-13)17(21)15-9-5-3-6-10-15/h15H,3-12H2,1-2H3.
What are the key properties of cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone?
cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone has a molecular weight of 353.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methanone is sourced from PubChem (CID 16801480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).