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

C21H23ClN4O2S — CID 90507181

IUPAC1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-16-21(17(2)26(23-16)19-6-4-3-5-7-19)24-12-14-25(15-13-24)29(27,28)20-10-8-18(22)9-11-20/h3-11H,12-15H2,1-2H3
InChIKeyNJQPYUPQLREUOT-UHFFFAOYSA-N
MW430.96 g/mol
LogP3.65
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine (PubChem CID 90507181) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
PubChem CID90507181
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-16-21(17(2)26(23-16)19-6-4-3-5-7-19)24-12-14-25(15-13-24)29(27,28)20-10-8-18(22)9-11-20/h3-11H,12-15H2,1-2H3
InChIKeyNJQPYUPQLREUOT-UHFFFAOYSA-N
XLogP3.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507187
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 4808769
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 90507193
1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 2084594
1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine
CID 53076060
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 19684923
N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631
1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 17301213
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 90507660
1-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507605
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 19682926

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine (CID 90507181) is 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine is Cc1nn(-c2ccccc2)c(C)c1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
The InChIKey is NJQPYUPQLREUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-16-21(17(2)26(23-16)19-6-4-3-5-7-19)24-12-14-25(15-13-24)29(27,28)20-10-8-18(22)9-11-20/h3-11H,12-15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine has a molecular weight of 430.96 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine is sourced from PubChem (CID 90507181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).