6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

C20H15F4N3O2S — CID 90727951

IUPAC6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(F)cc2)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15F4N3O2S/c1-12-19(30(28,29)15-5-3-2-4-6-15)18(13-7-9-14(21)10-8-13)27-17(25-12)11-16(26-27)20(22,23)24/h2-11,18-19H,1H3
InChIKeyMYDMTPPMXGZLCS-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.58
Rot. Bonds3

About 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 90727951) has the molecular formula C20H15F4N3O2S and a molecular weight of 437.42 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID90727951
Molecular FormulaC20H15F4N3O2S
Molecular Weight437.42 g/mol
Exact Mass437.08
IUPAC Name6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(F)cc2)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15F4N3O2S/c1-12-19(30(28,29)15-5-3-2-4-6-15)18(13-7-9-14(21)10-8-13)27-17(25-12)11-16(26-27)20(22,23)24/h2-11,18-19H,1H3
InChIKeyMYDMTPPMXGZLCS-UHFFFAOYSA-N
XLogP4.58
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 90727951) is 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(F)cc2)C1S(=O)(=O)c1ccccc1.
What is the InChIKey of 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is MYDMTPPMXGZLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2S/c1-12-19(30(28,29)15-5-3-2-4-6-15)18(13-7-9-14(21)10-8-13)27-17(25-12)11-16(26-27)20(22,23)24/h2-11,18-19H,1H3.
What are the key properties of 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 437.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90727951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).