1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine

C23H28N4O2S — CID 90507193

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)c1
InChIInChI=1S/C23H28N4O2S/c1-17-10-11-18(2)22(16-17)30(28,29)26-14-12-25(13-15-26)23-19(3)24-27(20(23)4)21-8-6-5-7-9-21/h5-11,16H,12-15H2,1-4H3
InChIKeyGPYITHGKCLGCKV-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.62
Rot. Bonds4

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 90507193) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID90507193
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)c1
InChIInChI=1S/C23H28N4O2S/c1-17-10-11-18(2)22(16-17)30(28,29)26-14-12-25(13-15-26)23-19(3)24-27(20(23)4)21-8-6-5-7-9-21/h5-11,16H,12-15H2,1-4H3
InChIKeyGPYITHGKCLGCKV-UHFFFAOYSA-N
XLogP3.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine (CID 90507193) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)c1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is GPYITHGKCLGCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-17-10-11-18(2)22(16-17)30(28,29)26-14-12-25(13-15-26)23-19(3)24-27(20(23)4)21-8-6-5-7-9-21/h5-11,16H,12-15H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 424.57 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 90507193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).