1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine

C16H22N4O3S — CID 6466269

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cn(C)nc2C)CC1
InChIInChI=1S/C16H22N4O3S/c1-13-16(12-18(2)17-13)24(21,22)20-10-8-19(9-11-20)14-6-4-5-7-15(14)23-3/h4-7,12H,8-11H2,1-3H3
InChIKeyWKOVRUHCPCLDBB-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.25
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 6466269) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID6466269
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cn(C)nc2C)CC1
InChIInChI=1S/C16H22N4O3S/c1-13-16(12-18(2)17-13)24(21,22)20-10-8-19(9-11-20)14-6-4-5-7-15(14)23-3/h4-7,12H,8-11H2,1-3H3
InChIKeyWKOVRUHCPCLDBB-UHFFFAOYSA-N
XLogP1.25
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 6466269) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2cn(C)nc2C)CC1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is WKOVRUHCPCLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-13-16(12-18(2)17-13)24(21,22)20-10-8-19(9-11-20)14-6-4-5-7-15(14)23-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 350.44 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 6466269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).