[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone

C16H19N3O3S — CID 713224

IUPAC[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-11-13(2)19(17-12)16(20)15-9-6-10-18(15)23(21,22)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyGIFKAVGFNCVXDL-OAHLLOKOSA-N
MW333.41 g/mol
LogP1.99
Rot. Bonds3

About [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone

[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 713224) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID713224
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-11-13(2)19(17-12)16(20)15-9-6-10-18(15)23(21,22)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyGIFKAVGFNCVXDL-OAHLLOKOSA-N
XLogP1.99
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone (CID 713224) is [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is GIFKAVGFNCVXDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-11-13(2)19(17-12)16(20)15-9-6-10-18(15)23(21,22)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 333.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 713224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).