N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H18Cl3F3N4O3S — CID 90914948

IUPACN-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(CCc2ccc(Cl)c(Cl)c2)C1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3F3N4O3S/c1-12-21(22(34)32-37(35,36)15-6-4-14(24)5-7-15)18(9-3-13-2-8-16(25)17(26)10-13)33-20(30-12)11-19(31-33)23(27,28)29/h2,4-8,10-11,18,21H,3,9H2,1H3,(H,32,34)
InChIKeySOJLTQKCBFYPNX-UHFFFAOYSA-N
MW593.84 g/mol
LogP6.26
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90914948) has the molecular formula C23H18Cl3F3N4O3S and a molecular weight of 593.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90914948
Molecular FormulaC23H18Cl3F3N4O3S
Molecular Weight593.84 g/mol
Exact Mass592.01
IUPAC NameN-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(CCc2ccc(Cl)c(Cl)c2)C1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3F3N4O3S/c1-12-21(22(34)32-37(35,36)15-6-4-14(24)5-7-15)18(9-3-13-2-8-16(25)17(26)10-13)33-20(30-12)11-19(31-33)23(27,28)29/h2,4-8,10-11,18,21H,3,9H2,1H3,(H,32,34)
InChIKeySOJLTQKCBFYPNX-UHFFFAOYSA-N
XLogP6.26
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.84
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90914948) is N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=Nc2cc(C(F)(F)F)nn2C(CCc2ccc(Cl)c(Cl)c2)C1C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SOJLTQKCBFYPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3F3N4O3S/c1-12-21(22(34)32-37(35,36)15-6-4-14(24)5-7-15)18(9-3-13-2-8-16(25)17(26)10-13)33-20(30-12)11-19(31-33)23(27,28)29/h2,4-8,10-11,18,21H,3,9H2,1H3,(H,32,34).
What are the key properties of N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 593.84 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-7-[2-(3,4-dichlorophenyl)ethyl]-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90914948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).