1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

C18H26N4O4S — CID 17060489

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c1
InChIInChI=1S/C18H26N4O4S/c1-14-18(13-20(2)19-14)27(23,24)22-9-7-21(8-10-22)12-15-11-16(25-3)5-6-17(15)26-4/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeySECLCEXIHBRQON-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.25
Rot. Bonds6

About 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17060489) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17060489
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c1
InChIInChI=1S/C18H26N4O4S/c1-14-18(13-20(2)19-14)27(23,24)22-9-7-21(8-10-22)12-15-11-16(25-3)5-6-17(15)26-4/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeySECLCEXIHBRQON-UHFFFAOYSA-N
XLogP1.25
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 17378962
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 60609489
1-(4-chlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122407
1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208305
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(2-methoxyphenyl)methyl]piperazine
CID 110399025
1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684874
1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208261
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 17060489) is 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cn(C)nc3C)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is SECLCEXIHBRQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-14-18(13-20(2)19-14)27(23,24)22-9-7-21(8-10-22)12-15-11-16(25-3)5-6-17(15)26-4/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 394.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17060489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).