1-benzylsulfonylpyrazole

C10H10N2O2S — CID 6464251

IUPAC1-benzylsulfonylpyrazole
SMILESO=S(=O)(Cc1ccccc1)n1cccn1
InChIInChI=1S/C10H10N2O2S/c13-15(14,12-8-4-7-11-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXMYASPDIVKMNPC-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.26
Rot. Bonds3

About 1-benzylsulfonylpyrazole

1-benzylsulfonylpyrazole (PubChem CID 6464251) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-benzylsulfonylpyrazole.

Molecular Properties

Compound Name1-benzylsulfonylpyrazole
PubChem CID6464251
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name1-benzylsulfonylpyrazole
SMILESO=S(=O)(Cc1ccccc1)n1cccn1
InChIInChI=1S/C10H10N2O2S/c13-15(14,12-8-4-7-11-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXMYASPDIVKMNPC-UHFFFAOYSA-N
XLogP1.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonylpyrazole?
The IUPAC name of 1-benzylsulfonylpyrazole (CID 6464251) is 1-benzylsulfonylpyrazole.
What is the SMILES notation for 1-benzylsulfonylpyrazole?
The canonical SMILES for 1-benzylsulfonylpyrazole is O=S(=O)(Cc1ccccc1)n1cccn1.
What is the InChIKey of 1-benzylsulfonylpyrazole?
The InChIKey is XMYASPDIVKMNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-15(14,12-8-4-7-11-12)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-benzylsulfonylpyrazole?
1-benzylsulfonylpyrazole has a molecular weight of 222.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonylpyrazole is sourced from PubChem (CID 6464251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).