1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine

C20H24N4O2S2 — CID 20947565

IUPAC1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)c1C
InChIInChI=1S/C20H24N4O2S2/c1-15-16(2)21-22-20(15)18-8-9-19(27-18)28(25,26)24-12-10-23(11-13-24)14-17-6-4-3-5-7-17/h3-9H,10-14H2,1-2H3,(H,21,22)
InChIKeyGOANIMYXUDBOPO-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.26
Rot. Bonds5

About 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine

1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine (PubChem CID 20947565) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
PubChem CID20947565
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC Name1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)c1C
InChIInChI=1S/C20H24N4O2S2/c1-15-16(2)21-22-20(15)18-8-9-19(27-18)28(25,26)24-12-10-23(11-13-24)14-17-6-4-3-5-7-17/h3-9H,10-14H2,1-2H3,(H,21,22)
InChIKeyGOANIMYXUDBOPO-UHFFFAOYSA-N
XLogP3.26
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine (CID 20947565) is 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine is Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)s2)c1C.
What is the InChIKey of 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
The InChIKey is GOANIMYXUDBOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-15-16(2)21-22-20(15)18-8-9-19(27-18)28(25,26)24-12-10-23(11-13-24)14-17-6-4-3-5-7-17/h3-9H,10-14H2,1-2H3,(H,21,22).
What are the key properties of 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine?
1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine has a molecular weight of 416.57 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine is sourced from PubChem (CID 20947565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).