1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole

C16H22N2O3S — CID 850120

IUPAC1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C16H22N2O3S/c1-6-21-15-8-7-14(11(2)3)10-16(15)22(19,20)18-13(5)9-12(4)17-18/h7-11H,6H2,1-5H3
InChIKeyRZMKKRDAHWZGHC-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.26
Rot. Bonds5

About 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 850120) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID850120
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)n1nc(C)cc1C
InChIInChI=1S/C16H22N2O3S/c1-6-21-15-8-7-14(11(2)3)10-16(15)22(19,20)18-13(5)9-12(4)17-18/h7-11H,6H2,1-5H3
InChIKeyRZMKKRDAHWZGHC-UHFFFAOYSA-N
XLogP3.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 850120) is 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole is CCOc1ccc(C(C)C)cc1S(=O)(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is RZMKKRDAHWZGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-6-21-15-8-7-14(11(2)3)10-16(15)22(19,20)18-13(5)9-12(4)17-18/h7-11H,6H2,1-5H3.
What are the key properties of 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 322.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 850120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).