1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine

C15H24N6O2S — CID 22208281

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3cn(C)nc3C)CC2)cn1
InChIInChI=1S/C15H24N6O2S/c1-4-20-12-15(9-16-20)24(22,23)21-7-5-19(6-8-21)11-14-10-18(3)17-13(14)2/h9-10,12H,4-8,11H2,1-3H3
InChIKeyFAWPEXMWYNUCAI-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.45
Rot. Bonds5

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 22208281) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID22208281
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3cn(C)nc3C)CC2)cn1
InChIInChI=1S/C15H24N6O2S/c1-4-20-12-15(9-16-20)24(22,23)21-7-5-19(6-8-21)11-14-10-18(3)17-13(14)2/h9-10,12H,4-8,11H2,1-3H3
InChIKeyFAWPEXMWYNUCAI-UHFFFAOYSA-N
XLogP0.45
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethylsulfonylpiperazine
CID 22208274
1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440
1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208261
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060352
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208278
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
1-(1-ethylpyrazol-4-yl)sulfonyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 131907176
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208447
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 22208487
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine (CID 22208281) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(S(=O)(=O)N2CCN(Cc3cn(C)nc3C)CC2)cn1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is FAWPEXMWYNUCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-4-20-12-15(9-16-20)24(22,23)21-7-5-19(6-8-21)11-14-10-18(3)17-13(14)2/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 352.46 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 22208281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).