[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C15H24N4O4S — CID 22772854

IUPAC[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)n1
InChIInChI=1S/C15H24N4O4S/c1-3-18-11-14(12(2)16-18)24(21,22)19-8-6-17(7-9-19)15(20)13-5-4-10-23-13/h11,13H,3-10H2,1-2H3
InChIKeyBWLAVDOQIXQOHQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.22
Rot. Bonds4

About [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 22772854) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID22772854
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)n1
InChIInChI=1S/C15H24N4O4S/c1-3-18-11-14(12(2)16-18)24(21,22)19-8-6-17(7-9-19)15(20)13-5-4-10-23-13/h11,13H,3-10H2,1-2H3
InChIKeyBWLAVDOQIXQOHQ-UHFFFAOYSA-N
XLogP0.22
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 22772854) is [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is CCn1cc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)c(C)n1.
What is the InChIKey of [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is BWLAVDOQIXQOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-3-18-11-14(12(2)16-18)24(21,22)19-8-6-17(7-9-19)15(20)13-5-4-10-23-13/h11,13H,3-10H2,1-2H3.
What are the key properties of [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 356.45 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 22772854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).