7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine

C20H16Cl2FN3O2S — CID 135463504

IUPAC7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(S(=O)(=O)c2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
InChIInChI=1S/C20H16Cl2FN3O2S/c1-11-9-18-24-12(2)20(29(27,28)15-6-4-14(23)5-7-15)19(26(18)25-11)13-3-8-16(21)17(22)10-13/h3-10,19,24H,1-2H3
InChIKeyYBDLVSGYISNJCN-UHFFFAOYSA-N
MW452.34 g/mol
LogP5.36
Rot. Bonds3

About 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135463504) has the molecular formula C20H16Cl2FN3O2S and a molecular weight of 452.34 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135463504
Molecular FormulaC20H16Cl2FN3O2S
Molecular Weight452.34 g/mol
Exact Mass451.03
IUPAC Name7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(S(=O)(=O)c2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1
InChIInChI=1S/C20H16Cl2FN3O2S/c1-11-9-18-24-12(2)20(29(27,28)15-6-4-14(23)5-7-15)19(26(18)25-11)13-3-8-16(21)17(22)10-13/h3-10,19,24H,1-2H3
InChIKeyYBDLVSGYISNJCN-UHFFFAOYSA-N
XLogP5.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[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 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135463504) is 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(S(=O)(=O)c2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YBDLVSGYISNJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O2S/c1-11-9-18-24-12(2)20(29(27,28)15-6-4-14(23)5-7-15)19(26(18)25-11)13-3-8-16(21)17(22)10-13/h3-10,19,24H,1-2H3.
What are the key properties of 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 452.34 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135463504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).