1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine

C14H22N6O4S2 — CID 19582904

IUPAC1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)cnn1C
InChIInChI=1S/C14H22N6O4S2/c1-11-13(9-15-17(11)3)25(21,22)19-5-7-20(8-6-19)26(23,24)14-10-16-18(4)12(14)2/h9-10H,5-8H2,1-4H3
InChIKeyKIXOSXYVAMBQAE-UHFFFAOYSA-N
MW402.50 g/mol
LogP-0.53
Rot. Bonds4

About 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine

1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine (PubChem CID 19582904) has the molecular formula C14H22N6O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
PubChem CID19582904
Molecular FormulaC14H22N6O4S2
Molecular Weight402.50 g/mol
Exact Mass402.11
IUPAC Name1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)cnn1C
InChIInChI=1S/C14H22N6O4S2/c1-11-13(9-15-17(11)3)25(21,22)19-5-7-20(8-6-19)26(23,24)14-10-16-18(4)12(14)2/h9-10H,5-8H2,1-4H3
InChIKeyKIXOSXYVAMBQAE-UHFFFAOYSA-N
XLogP-0.53
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine?
The IUPAC name of 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine (CID 19582904) is 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine.
What is the SMILES notation for 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine?
The canonical SMILES for 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine is Cc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)cnn1C.
What is the InChIKey of 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine?
The InChIKey is KIXOSXYVAMBQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O4S2/c1-11-13(9-15-17(11)3)25(21,22)19-5-7-20(8-6-19)26(23,24)14-10-16-18(4)12(14)2/h9-10H,5-8H2,1-4H3.
What are the key properties of 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine?
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine has a molecular weight of 402.50 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine is sourced from PubChem (CID 19582904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).