1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine

C19H32N6O2S — CID 46970378

IUPAC1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
SMILESCCCCn1cc(S(=O)(=O)N2CCN(Cc3cn(CC)nc3C)CC2)c(C)n1
InChIInChI=1S/C19H32N6O2S/c1-5-7-8-24-15-19(17(4)21-24)28(26,27)25-11-9-22(10-12-25)13-18-14-23(6-2)20-16(18)3/h14-15H,5-13H2,1-4H3
InChIKeyCKHDXJGHDFJMGF-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.02
Rot. Bonds8

About 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine

1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 46970378) has the molecular formula C19H32N6O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
PubChem CID46970378
Molecular FormulaC19H32N6O2S
Molecular Weight408.57 g/mol
Exact Mass408.23
IUPAC Name1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
SMILESCCCCn1cc(S(=O)(=O)N2CCN(Cc3cn(CC)nc3C)CC2)c(C)n1
InChIInChI=1S/C19H32N6O2S/c1-5-7-8-24-15-19(17(4)21-24)28(26,27)25-11-9-22(10-12-25)13-18-14-23(6-2)20-16(18)3/h14-15H,5-13H2,1-4H3
InChIKeyCKHDXJGHDFJMGF-UHFFFAOYSA-N
XLogP2.02
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine (CID 46970378) is 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine is CCCCn1cc(S(=O)(=O)N2CCN(Cc3cn(CC)nc3C)CC2)c(C)n1.
What is the InChIKey of 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is CKHDXJGHDFJMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2S/c1-5-7-8-24-15-19(17(4)21-24)28(26,27)25-11-9-22(10-12-25)13-18-14-23(6-2)20-16(18)3/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine?
1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 408.57 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 46970378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).