6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

C18H19ClF3N3O2S — CID 91070815

IUPAC6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(CC(C)C)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF3N3O2S/c1-10(2)8-14-17(28(26,27)13-6-4-12(19)5-7-13)11(3)23-16-9-15(18(20,21)22)24-25(14)16/h4-7,9-10,14,17H,8H2,1-3H3
InChIKeyKQLKPDWMYAWUPL-UHFFFAOYSA-N
MW433.88 g/mol
LogP5.09
Rot. Bonds4

About 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine

6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 91070815) has the molecular formula C18H19ClF3N3O2S and a molecular weight of 433.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID91070815
Molecular FormulaC18H19ClF3N3O2S
Molecular Weight433.88 g/mol
Exact Mass433.08
IUPAC Name6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(CC(C)C)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF3N3O2S/c1-10(2)8-14-17(28(26,27)13-6-4-12(19)5-7-13)11(3)23-16-9-15(18(20,21)22)24-25(14)16/h4-7,9-10,14,17H,8H2,1-3H3
InChIKeyKQLKPDWMYAWUPL-UHFFFAOYSA-N
XLogP5.09
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.88
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-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 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 91070815) is 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C(F)(F)F)nn2C(CC(C)C)C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is KQLKPDWMYAWUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O2S/c1-10(2)8-14-17(28(26,27)13-6-4-12(19)5-7-13)11(3)23-16-9-15(18(20,21)22)24-25(14)16/h4-7,9-10,14,17H,8H2,1-3H3.
What are the key properties of 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 433.88 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-5-methyl-7-(2-methylpropyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91070815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).