7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

C22H19F4N3O3S — CID 135463465

IUPAC7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(S(=O)(=O)C2=C(C)Nc3cc(C(F)(F)F)nn3C2c2ccc(C)c(F)c2)c1
InChIInChI=1S/C22H19F4N3O3S/c1-12-7-8-14(9-17(12)23)20-21(33(30,31)16-6-4-5-15(10-16)32-3)13(2)27-19-11-18(22(24,25)26)28-29(19)20/h4-11,20,27H,1-3H3
InChIKeyLELYLOMGWIGCPX-UHFFFAOYSA-N
MW481.47 g/mol
LogP5.08
Rot. Bonds4

About 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135463465) has the molecular formula C22H19F4N3O3S and a molecular weight of 481.47 g/mol. Its IUPAC name is 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135463465
Molecular FormulaC22H19F4N3O3S
Molecular Weight481.47 g/mol
Exact Mass481.11
IUPAC Name7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(S(=O)(=O)C2=C(C)Nc3cc(C(F)(F)F)nn3C2c2ccc(C)c(F)c2)c1
InChIInChI=1S/C22H19F4N3O3S/c1-12-7-8-14(9-17(12)23)20-21(33(30,31)16-6-4-5-15(10-16)32-3)13(2)27-19-11-18(22(24,25)26)28-29(19)20/h4-11,20,27H,1-3H3
InChIKeyLELYLOMGWIGCPX-UHFFFAOYSA-N
XLogP5.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-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-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135463465) is 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is COc1cccc(S(=O)(=O)C2=C(C)Nc3cc(C(F)(F)F)nn3C2c2ccc(C)c(F)c2)c1.
What is the InChIKey of 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is LELYLOMGWIGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O3S/c1-12-7-8-14(9-17(12)23)20-21(33(30,31)16-6-4-5-15(10-16)32-3)13(2)27-19-11-18(22(24,25)26)28-29(19)20/h4-11,20,27H,1-3H3.
What are the key properties of 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 481.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135463465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).