(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone

C17H21N3O3S — CID 978267

IUPAC(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C17H21N3O3S/c1-13-11-14(2)20(18-13)17(21)15-7-6-8-16(12-15)24(22,23)19-9-4-3-5-10-19/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyXRAQLEGQLXRDKK-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.36
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 978267) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID978267
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1
InChIInChI=1S/C17H21N3O3S/c1-13-11-14(2)20(18-13)17(21)15-7-6-8-16(12-15)24(22,23)19-9-4-3-5-10-19/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyXRAQLEGQLXRDKK-UHFFFAOYSA-N
XLogP2.36
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone (CID 978267) is (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone is Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is XRAQLEGQLXRDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-11-14(2)20(18-13)17(21)15-7-6-8-16(12-15)24(22,23)19-9-4-3-5-10-19/h6-8,11-12H,3-5,9-10H2,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 347.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 978267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).