6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine

C24H17N3O2S — CID 1214657

IUPAC6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1ccccc1
InChIInChI=1S/C24H17N3O2S/c28-30(29,20-14-8-3-9-15-20)22-17-25-23-16-21(18-10-4-1-5-11-18)26-27(23)24(22)19-12-6-2-7-13-19/h1-17H
InChIKeyKHPCUWVZYLONPS-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.90
Rot. Bonds4

About 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine

6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1214657) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine
PubChem CID1214657
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC Name6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1ccccc1
InChIInChI=1S/C24H17N3O2S/c28-30(29,20-14-8-3-9-15-20)22-17-25-23-16-21(18-10-4-1-5-11-18)26-27(23)24(22)19-12-6-2-7-13-19/h1-17H
InChIKeyKHPCUWVZYLONPS-UHFFFAOYSA-N
XLogP4.90
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine (CID 1214657) is 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine is O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1ccccc1.
What is the InChIKey of 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KHPCUWVZYLONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S/c28-30(29,20-14-8-3-9-15-20)22-17-25-23-16-21(18-10-4-1-5-11-18)26-27(23)24(22)19-12-6-2-7-13-19/h1-17H.
What are the key properties of 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine?
6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 411.49 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2,7-diphenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1214657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).