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

C20H14Cl2F3N3O2S — CID 90698365

IUPAC7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2F3N3O2S/c1-11-19(31(29,30)15-8-6-14(22)7-9-15)18(12-2-4-13(21)5-3-12)28-17(26-11)10-16(27-28)20(23,24)25/h2-10,18-19H,1H3
InChIKeyKTLKJUFHRUCMNK-UHFFFAOYSA-N
MW488.32 g/mol
LogP5.75
Rot. Bonds3

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

7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 90698365) has the molecular formula C20H14Cl2F3N3O2S and a molecular weight of 488.32 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID90698365
Molecular FormulaC20H14Cl2F3N3O2S
Molecular Weight488.32 g/mol
Exact Mass487.01
IUPAC Name7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2F3N3O2S/c1-11-19(31(29,30)15-8-6-14(22)7-9-15)18(12-2-4-13(21)5-3-12)28-17(26-11)10-16(27-28)20(23,24)25/h2-10,18-19H,1H3
InChIKeyKTLKJUFHRUCMNK-UHFFFAOYSA-N
XLogP5.75
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.32
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide
CID 2813992
3-[5-Amino-3-(4-chlorophenyl)pyrazolyl]thiolane-1,1-dione
CID 43336877
1-[(4-Chlorophenyl)methyl]-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 9931633
4-(4-Chlorophenyl)-5-(difluoromethyl)-3-(4-methylsulfonylphenyl)-1-prop-2-enylpyrazole
CID 17817024
4-(4-Chlorophenyl)-5-(difluoromethyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole
CID 19355955
N-[4-(4-chlorophenyl)-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67645684
N-[4-(4-chlorophenyl)-5-(difluoromethyl)-1-ethylpyrazol-3-yl]benzenesulfonamide
CID 67646060
6-(Benzenesulfonyl)-7-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90727951
7-(3,4-Dichlorophenyl)-5-methyl-6-piperidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90810036
7-(4-Chlorophenyl)-5-methyl-6-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90814205
6-(4-Chlorophenyl)sulfonyl-5-methyl-7-(4-methylphenyl)-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90912596
6-Benzylsulfonyl-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90921664

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 90698365) is 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is KTLKJUFHRUCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3N3O2S/c1-11-19(31(29,30)15-8-6-14(22)7-9-15)18(12-2-4-13(21)5-3-12)28-17(26-11)10-16(27-28)20(23,24)25/h2-10,18-19H,1H3.
What are the key properties of 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 488.32 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90698365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).