3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole

C16H16N2O2S — CID 804693

IUPAC3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole
SMILESCc1ccc2ccc(S(=O)(=O)n3nc(C)cc3C)cc2c1
InChIInChI=1S/C16H16N2O2S/c1-11-4-5-14-6-7-16(10-15(14)8-11)21(19,20)18-13(3)9-12(2)17-18/h4-10H,1-3H3
InChIKeyITZUIVKJVHJKKG-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.20
Rot. Bonds2

About 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole

3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole (PubChem CID 804693) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole
PubChem CID804693
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole
SMILESCc1ccc2ccc(S(=O)(=O)n3nc(C)cc3C)cc2c1
InChIInChI=1S/C16H16N2O2S/c1-11-4-5-14-6-7-16(10-15(14)8-11)21(19,20)18-13(3)9-12(2)17-18/h4-10H,1-3H3
InChIKeyITZUIVKJVHJKKG-UHFFFAOYSA-N
XLogP3.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.20
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-(7-methylnaphthalen-2-yl)sulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole (CID 804693) is 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole is Cc1ccc2ccc(S(=O)(=O)n3nc(C)cc3C)cc2c1.
What is the InChIKey of 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole?
The InChIKey is ITZUIVKJVHJKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-4-5-14-6-7-16(10-15(14)8-11)21(19,20)18-13(3)9-12(2)17-18/h4-10H,1-3H3.
What are the key properties of 3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole?
3,5-dimethyl-1-(7-methylnaphthalen-2-yl)sulfonylpyrazole has a molecular weight of 300.38 g/mol, XLogP of 3.20, 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-(7-methylnaphthalen-2-yl)sulfonylpyrazole is sourced from PubChem (CID 804693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).