1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine

C23H28N4O4S — CID 90507187

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1OC
InChIInChI=1S/C23H28N4O4S/c1-17-23(18(2)27(24-17)19-8-6-5-7-9-19)25-12-14-26(15-13-25)32(28,29)20-10-11-21(30-3)22(16-20)31-4/h5-11,16H,12-15H2,1-4H3
InChIKeyNTCUFBKQZIVXAO-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.02
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine

1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine (PubChem CID 90507187) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
PubChem CID90507187
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1OC
InChIInChI=1S/C23H28N4O4S/c1-17-23(18(2)27(24-17)19-8-6-5-7-9-19)25-12-14-26(15-13-25)32(28,29)20-10-11-21(30-3)22(16-20)31-4/h5-11,16H,12-15H2,1-4H3
InChIKeyNTCUFBKQZIVXAO-UHFFFAOYSA-N
XLogP3.02
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507181
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 90507193
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
CID 1279364
1-(3-iodo-4-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 2979675
(3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-2-one
CID 39965163
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110603064
1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4,8-dimethylquinoline
CID 108781202
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 26544552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine (CID 90507187) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine is COc1ccc(S(=O)(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The InChIKey is NTCUFBKQZIVXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-17-23(18(2)27(24-17)19-8-6-5-7-9-19)25-12-14-26(15-13-25)32(28,29)20-10-11-21(30-3)22(16-20)31-4/h5-11,16H,12-15H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine has a molecular weight of 456.57 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine is sourced from PubChem (CID 90507187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).