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

C20H21ClF3N3O2S — CID 91141814

IUPAC6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(C2CCCCC2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClF3N3O2S/c1-12-19(30(28,29)15-9-7-14(21)8-10-15)18(13-5-3-2-4-6-13)27-17(25-12)11-16(26-27)20(22,23)24/h7-11,13,18-19H,2-6H2,1H3
InChIKeyRJZYAALWACBRDF-UHFFFAOYSA-N
MW459.92 g/mol
LogP5.63
Rot. Bonds3

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

6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 91141814) has the molecular formula C20H21ClF3N3O2S and a molecular weight of 459.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID91141814
Molecular FormulaC20H21ClF3N3O2S
Molecular Weight459.92 g/mol
Exact Mass459.10
IUPAC Name6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(C2CCCCC2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClF3N3O2S/c1-12-19(30(28,29)15-9-7-14(21)8-10-15)18(13-5-3-2-4-6-13)27-17(25-12)11-16(26-27)20(22,23)24/h7-11,13,18-19H,2-6H2,1H3
InChIKeyRJZYAALWACBRDF-UHFFFAOYSA-N
XLogP5.63
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.92
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91577114
N-cyclohexyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91460704
7-(3-fluoro-4-methylphenyl)-6-(3-methoxyphenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91352309
1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 138655272
7-(4-chlorophenyl)-5-methyl-6-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135463458
[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 91102748
N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135463481
1-cyclopentyl-5-(3,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 10200635
7-(3,4-dichlorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91238940
7-(3,4-dichlorophenyl)-5-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91591488
6-chloro-2-[1-cyclohexyl-3-(trifluoromethyl)pyrazol-5-yl]-8-methyl-1-oxido-4H-3,1-benzoxazin-1-ium
CID 87180459
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268992

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 91141814) is 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C(F)(F)F)nn2C(C2CCCCC2)C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RJZYAALWACBRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2S/c1-12-19(30(28,29)15-9-7-14(21)8-10-15)18(13-5-3-2-4-6-13)27-17(25-12)11-16(26-27)20(22,23)24/h7-11,13,18-19H,2-6H2,1H3.
What are the key properties of 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine?
6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 459.92 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-7-cyclohexyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91141814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).