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

C16H25N3O3S — CID 16896654

IUPACcyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H25N3O3S/c1-12-15(23(21,22)18-10-6-7-11-18)13(2)19(17-12)16(20)14-8-4-3-5-9-14/h14H,3-11H2,1-2H3
InChIKeyIWOSLVPDDRWKSJ-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.50
Rot. Bonds3

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

cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone (PubChem CID 16896654) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone
PubChem CID16896654
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Namecyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H25N3O3S/c1-12-15(23(21,22)18-10-6-7-11-18)13(2)19(17-12)16(20)14-8-4-3-5-9-14/h14H,3-11H2,1-2H3
InChIKeyIWOSLVPDDRWKSJ-UHFFFAOYSA-N
XLogP2.50
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.50
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-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone?
The IUPAC name of cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone (CID 16896654) is cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone?
The canonical SMILES for cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone is Cc1nn(C(=O)C2CCCCC2)c(C)c1S(=O)(=O)N1CCCC1.
What is the InChIKey of cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone?
The InChIKey is IWOSLVPDDRWKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-15(23(21,22)18-10-6-7-11-18)13(2)19(17-12)16(20)14-8-4-3-5-9-14/h14H,3-11H2,1-2H3.
What are the key properties of cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone?
cyclohexyl-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone has a molecular weight of 339.46 g/mol, XLogP of 2.50, 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-pyrrolidin-1-ylsulfonylpyrazol-1-yl)methanone is sourced from PubChem (CID 16896654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).