1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine

C14H20N4O3S — CID 50784637

IUPAC1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)c1C
InChIInChI=1S/C14H20N4O3S/c1-10-11(2)15-16-14(10)12-4-5-13(21-12)22(19,20)18-8-6-17(3)7-9-18/h4-5H,6-9H2,1-3H3,(H,15,16)
InChIKeyJSJBYVYKDJLZQA-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.22
Rot. Bonds3

About 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine

1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine (PubChem CID 50784637) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine
PubChem CID50784637
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)c1C
InChIInChI=1S/C14H20N4O3S/c1-10-11(2)15-16-14(10)12-4-5-13(21-12)22(19,20)18-8-6-17(3)7-9-18/h4-5H,6-9H2,1-3H3,(H,15,16)
InChIKeyJSJBYVYKDJLZQA-UHFFFAOYSA-N
XLogP1.22
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine (CID 50784637) is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine is Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)c1C.
What is the InChIKey of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine?
The InChIKey is JSJBYVYKDJLZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10-11(2)15-16-14(10)12-4-5-13(21-12)22(19,20)18-8-6-17(3)7-9-18/h4-5H,6-9H2,1-3H3,(H,15,16).
What are the key properties of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine?
1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine has a molecular weight of 324.41 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)furan-2-yl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 50784637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).