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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Related Compounds

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 6465895
1,3-Dimethyl-4-[(4-propylpiperazinyl)sulfonyl]pyrazole
CID 6466875
1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
US10202354, Example 119
CID 121477777
1-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 4469354
N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-N,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29095255
N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 46972158
N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 95850117
N,3-dimethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 95850155
1-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247405
1-((1-Ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 17024732

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).