1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine

C17H28N6O2S — CID 22208484

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(CN2CCN(S(=O)(=O)c3cnn(CC)c3C)CC2)c(C)n1
InChIInChI=1S/C17H28N6O2S/c1-5-21-13-16(14(3)19-21)12-20-7-9-22(10-8-20)26(24,25)17-11-18-23(6-2)15(17)4/h11,13H,5-10,12H2,1-4H3
InChIKeyLZFAPQZSHOXOHP-UHFFFAOYSA-N
MW380.52 g/mol
LogP1.24
Rot. Bonds6

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 22208484) has the molecular formula C17H28N6O2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID22208484
Molecular FormulaC17H28N6O2S
Molecular Weight380.52 g/mol
Exact Mass380.20
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCCn1cc(CN2CCN(S(=O)(=O)c3cnn(CC)c3C)CC2)c(C)n1
InChIInChI=1S/C17H28N6O2S/c1-5-21-13-16(14(3)19-21)12-20-7-9-22(10-8-20)26(24,25)17-11-18-23(6-2)15(17)4/h11,13H,5-10,12H2,1-4H3
InChIKeyLZFAPQZSHOXOHP-UHFFFAOYSA-N
XLogP1.24
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine (CID 22208484) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine is CCn1cc(CN2CCN(S(=O)(=O)c3cnn(CC)c3C)CC2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is LZFAPQZSHOXOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2S/c1-5-21-13-16(14(3)19-21)12-20-7-9-22(10-8-20)26(24,25)17-11-18-23(6-2)15(17)4/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 380.52 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 22208484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).