1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine

C22H25ClN4O2S — CID 53076060

IUPAC1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine
SMILESCc1ccc(-n2nc(C)c(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C)cc1
InChIInChI=1S/C22H25ClN4O2S/c1-16-4-8-21(9-5-16)27-18(3)22(17(2)24-27)30(28,29)26-14-12-25(13-15-26)20-10-6-19(23)7-11-20/h4-11H,12-15H2,1-3H3
InChIKeyMWGJRHXOANXUPV-UHFFFAOYSA-N
MW444.99 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine

1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine (PubChem CID 53076060) has the molecular formula C22H25ClN4O2S and a molecular weight of 444.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine
PubChem CID53076060
Molecular FormulaC22H25ClN4O2S
Molecular Weight444.99 g/mol
Exact Mass444.14
IUPAC Name1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine
SMILESCc1ccc(-n2nc(C)c(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C)cc1
InChIInChI=1S/C22H25ClN4O2S/c1-16-4-8-21(9-5-16)27-18(3)22(17(2)24-27)30(28,29)26-14-12-25(13-15-26)20-10-6-19(23)7-11-20/h4-11H,12-15H2,1-3H3
InChIKeyMWGJRHXOANXUPV-UHFFFAOYSA-N
XLogP3.96
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.99
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine 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-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
CID 53075855
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 20934020
1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507181
1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 19682926
1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 22208018
3,5-dimethyl-4-[[4-(4-methylphenyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 75461716
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 19684923
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 4808769
1-(4-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 50842774

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine (CID 53076060) is 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine is Cc1ccc(-n2nc(C)c(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine?
The InChIKey is MWGJRHXOANXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2S/c1-16-4-8-21(9-5-16)27-18(3)22(17(2)24-27)30(28,29)26-14-12-25(13-15-26)20-10-6-19(23)7-11-20/h4-11H,12-15H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine?
1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine has a molecular weight of 444.99 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine is sourced from PubChem (CID 53076060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).