1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide

C17H23N3O2S — CID 35764851

IUPAC1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1C
InChIInChI=1S/C17H23N3O2S/c1-4-20-13(3)17(12(2)18-20)23(21,22)19-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11,19H,4-6,8,10H2,1-3H3
InChIKeyDUZSYFHHMBVJGO-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.20
Rot. Bonds4

About 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide (PubChem CID 35764851) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
PubChem CID35764851
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1C
InChIInChI=1S/C17H23N3O2S/c1-4-20-13(3)17(12(2)18-20)23(21,22)19-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11,19H,4-6,8,10H2,1-3H3
InChIKeyDUZSYFHHMBVJGO-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hsp90-IN-27
CID 842058
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
N-[1-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]benzenesulfonamide
CID 1298622
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5309777
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
1,3,5-trimethyl-N-1,2,3,4-tetrahydronaphthalen-1-yl-1H-pyrazole-4-sulfonamide
CID 3243361
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 969900
N-(2,5-dimethylphenyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3236338
1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]indoline
CID 3242394

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide (CID 35764851) is 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
The InChIKey is DUZSYFHHMBVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-20-13(3)17(12(2)18-20)23(21,22)19-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11,19H,4-6,8,10H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 35764851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).