5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one

C15H14N2O3S — CID 171127297

IUPAC5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cnn(S(=O)(=O)C4CC4)c3)ccc21
InChIInChI=1S/C15H14N2O3S/c18-15-6-2-11-7-10(1-5-14(11)15)12-8-16-17(9-12)21(19,20)13-3-4-13/h1,5,7-9,13H,2-4,6H2
InChIKeySTTGVRHESBRSKN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.02
Rot. Bonds3

About 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one

5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one (PubChem CID 171127297) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one
PubChem CID171127297
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cnn(S(=O)(=O)C4CC4)c3)ccc21
InChIInChI=1S/C15H14N2O3S/c18-15-6-2-11-7-10(1-5-14(11)15)12-8-16-17(9-12)21(19,20)13-3-4-13/h1,5,7-9,13H,2-4,6H2
InChIKeySTTGVRHESBRSKN-UHFFFAOYSA-N
XLogP2.02
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one (CID 171127297) is 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3cnn(S(=O)(=O)C4CC4)c3)ccc21.
What is the InChIKey of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one?
The InChIKey is STTGVRHESBRSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-15-6-2-11-7-10(1-5-14(11)15)12-8-16-17(9-12)21(19,20)13-3-4-13/h1,5,7-9,13H,2-4,6H2.
What are the key properties of 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one?
5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one has a molecular weight of 302.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylsulfonylpyrazol-4-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 171127297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).