1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

C13H20N6O4S2 — CID 17022437

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cnn1C
InChIInChI=1S/C13H20N6O4S2/c1-11-13(9-15-17(11)3)25(22,23)19-6-4-18(5-7-19)24(20,21)12-8-14-16(2)10-12/h8-10H,4-7H2,1-3H3
InChIKeyXCRODUXXQZVQHK-UHFFFAOYSA-N
MW388.48 g/mol
LogP-0.84
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17022437) has the molecular formula C13H20N6O4S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17022437
Molecular FormulaC13H20N6O4S2
Molecular Weight388.48 g/mol
Exact Mass388.10
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cnn1C
InChIInChI=1S/C13H20N6O4S2/c1-11-13(9-15-17(11)3)25(22,23)19-6-4-18(5-7-19)24(20,21)12-8-14-16(2)10-12/h8-10H,4-7H2,1-3H3
InChIKeyXCRODUXXQZVQHK-UHFFFAOYSA-N
XLogP-0.84
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (CID 17022437) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine is Cc1c(S(=O)(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is XCRODUXXQZVQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4S2/c1-11-13(9-15-17(11)3)25(22,23)19-6-4-18(5-7-19)24(20,21)12-8-14-16(2)10-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 388.48 g/mol, XLogP of -0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17022437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).