3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole

C17H20N8O2S — CID 19588239

IUPAC3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3cnn(C)c3)n2)cnn1C
InChIInChI=1S/C17H20N8O2S/c1-11-14(8-19-23(11)4)16-6-17(15-9-20-24(5)12(15)2)25(21-16)28(26,27)13-7-18-22(3)10-13/h6-10H,1-5H3
InChIKeyQKURFYJQPUHSII-UHFFFAOYSA-N
MW400.47 g/mol
LogP1.27
Rot. Bonds4

About 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole

3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole (PubChem CID 19588239) has the molecular formula C17H20N8O2S and a molecular weight of 400.47 g/mol. Its IUPAC name is 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole.

Molecular Properties

Compound Name3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole
PubChem CID19588239
Molecular FormulaC17H20N8O2S
Molecular Weight400.47 g/mol
Exact Mass400.14
IUPAC Name3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3cnn(C)c3)n2)cnn1C
InChIInChI=1S/C17H20N8O2S/c1-11-14(8-19-23(11)4)16-6-17(15-9-20-24(5)12(15)2)25(21-16)28(26,27)13-7-18-22(3)10-13/h6-10H,1-5H3
InChIKeyQKURFYJQPUHSII-UHFFFAOYSA-N
XLogP1.27
TPSA105.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
The IUPAC name of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole (CID 19588239) is 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole.
What is the SMILES notation for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
The canonical SMILES for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole is Cc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3cnn(C)c3)n2)cnn1C.
What is the InChIKey of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
The InChIKey is QKURFYJQPUHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2S/c1-11-14(8-19-23(11)4)16-6-17(15-9-20-24(5)12(15)2)25(21-16)28(26,27)13-7-18-22(3)10-13/h6-10H,1-5H3.
What are the key properties of 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole has a molecular weight of 400.47 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,5-dimethylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylpyrazole is sourced from PubChem (CID 19588239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).