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

C20H16FN3O2S — CID 11794221

IUPAC3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccn2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H16FN3O2S/c1-13-11-12-24-20(22-13)18(14-3-7-16(21)8-4-14)19(23-24)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
InChIKeyCRVCUFCXEZQYLM-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.91
Rot. Bonds3

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

3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 11794221) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID11794221
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccn2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H16FN3O2S/c1-13-11-12-24-20(22-13)18(14-3-7-16(21)8-4-14)19(23-24)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3
InChIKeyCRVCUFCXEZQYLM-UHFFFAOYSA-N
XLogP3.91
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (CID 11794221) is 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccn2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CRVCUFCXEZQYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-13-11-12-24-20(22-13)18(14-3-7-16(21)8-4-14)19(23-24)15-5-9-17(10-6-15)27(2,25)26/h3-12H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 381.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11794221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).