3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole

C15H14N2O2S — CID 702520

IUPAC3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H14N2O2S/c1-11-9-12(2)17(16-11)20(18,19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3
InChIKeyHOWUKVOTBCIKAY-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.89
Rot. Bonds2

About 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole

3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole (PubChem CID 702520) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole
PubChem CID702520
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C15H14N2O2S/c1-11-9-12(2)17(16-11)20(18,19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3
InChIKeyHOWUKVOTBCIKAY-UHFFFAOYSA-N
XLogP2.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole (CID 702520) is 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole?
The InChIKey is HOWUKVOTBCIKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-9-12(2)17(16-11)20(18,19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3.
What are the key properties of 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole?
3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole has a molecular weight of 286.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazole is sourced from PubChem (CID 702520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).