7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine

C20H15ClFN3O2S — CID 10621810

IUPAC7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H15ClFN3O2S/c1-12-11-17(21)25-20(23-12)18(13-3-7-15(22)8-4-13)19(24-25)14-5-9-16(10-6-14)28(2,26)27/h3-11H,1-2H3
InChIKeyOVYAYSFNSQBXIU-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.57
Rot. Bonds3

About 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine

7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 10621810) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID10621810
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC Name7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H15ClFN3O2S/c1-12-11-17(21)25-20(23-12)18(13-3-7-15(22)8-4-13)19(24-25)14-5-9-16(10-6-14)28(2,26)27/h3-11H,1-2H3
InChIKeyOVYAYSFNSQBXIU-UHFFFAOYSA-N
XLogP4.57
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (CID 10621810) is 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OVYAYSFNSQBXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c1-12-11-17(21)25-20(23-12)18(13-3-7-15(22)8-4-13)19(24-25)14-5-9-16(10-6-14)28(2,26)27/h3-11H,1-2H3.
What are the key properties of 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 415.88 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 10621810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).