6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine

C25H19N3O3S — CID 1214628

IUPAC6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C25H19N3O3S/c1-31-20-14-12-18(13-15-20)22-16-24-26-17-23(32(29,30)21-10-6-3-7-11-21)25(28(24)27-22)19-8-4-2-5-9-19/h2-17H,1H3
InChIKeyFMLDHDYWNJCYNU-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.90
Rot. Bonds5

About 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine

6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1214628) has the molecular formula C25H19N3O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID1214628
Molecular FormulaC25H19N3O3S
Molecular Weight441.51 g/mol
Exact Mass441.11
IUPAC Name6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C25H19N3O3S/c1-31-20-14-12-18(13-15-20)22-16-24-26-17-23(32(29,30)21-10-6-3-7-11-21)25(28(24)27-22)19-8-4-2-5-9-19/h2-17H,1H3
InChIKeyFMLDHDYWNJCYNU-UHFFFAOYSA-N
XLogP4.90
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine (CID 1214628) is 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FMLDHDYWNJCYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S/c1-31-20-14-12-18(13-15-20)22-16-24-26-17-23(32(29,30)21-10-6-3-7-11-21)25(28(24)27-22)19-8-4-2-5-9-19/h2-17H,1H3.
What are the key properties of 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 441.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1214628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).