1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole

C17H18N2O3S — CID 2921253

IUPAC1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)c2ccccc12
InChIInChI=1S/C17H18N2O3S/c1-4-22-16-9-10-17(15-8-6-5-7-14(15)16)23(20,21)19-13(3)11-12(2)18-19/h5-11H,4H2,1-3H3
InChIKeyHPUGOKKTBMJREY-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole

1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 2921253) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole
PubChem CID2921253
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)c2ccccc12
InChIInChI=1S/C17H18N2O3S/c1-4-22-16-9-10-17(15-8-6-5-7-14(15)16)23(20,21)19-13(3)11-12(2)18-19/h5-11H,4H2,1-3H3
InChIKeyHPUGOKKTBMJREY-UHFFFAOYSA-N
XLogP3.29
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole (CID 2921253) is 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole is CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)c2ccccc12.
What is the InChIKey of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is HPUGOKKTBMJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-4-22-16-9-10-17(15-8-6-5-7-14(15)16)23(20,21)19-13(3)11-12(2)18-19/h5-11H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole?
1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 330.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxynaphthalen-1-yl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 2921253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).