N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide

C22H23ClN4O3S — CID 73213598

IUPACN-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide
SMILESCCc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CN(C(=O)CNS(C)(=O)=O)C2
InChIInChI=1S/C22H23ClN4O3S/c1-3-15-6-4-5-7-20(15)27-22(16-8-10-17(23)11-9-16)18-13-26(14-19(18)25-27)21(28)12-24-31(2,29)30/h4-11,24H,3,12-14H2,1-2H3
InChIKeyMHSFXMCPCUCBTO-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.15
Rot. Bonds6

About N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide

N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 73213598) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide
PubChem CID73213598
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC NameN-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide
SMILESCCc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CN(C(=O)CNS(C)(=O)=O)C2
InChIInChI=1S/C22H23ClN4O3S/c1-3-15-6-4-5-7-20(15)27-22(16-8-10-17(23)11-9-16)18-13-26(14-19(18)25-27)21(28)12-24-31(2,29)30/h4-11,24H,3,12-14H2,1-2H3
InChIKeyMHSFXMCPCUCBTO-UHFFFAOYSA-N
XLogP3.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)-2-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methylcarbamic acid
CID 141418043
tert-butyl N-[2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]ethyl]carbamate;2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]ethanamine;N-[2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]ethyl]methanesulfonamide
CID 157155668
tert-butyl [3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl] carbonate
CID 122525871
acetylene;1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)pyrazole-3-carboxylic acid;ethane
CID 143816722
4-[5-(4-chlorophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]oxypiperidine-1-carboxylic acid
CID 90200028
N-(2-ethylphenyl)-2-(methanesulfonamido)acetamide
CID 47013160
[3-(4-chlorophenyl)-2-(2-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methyl-methylcarbamic acid
CID 150509723
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
N-[2-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56878402
2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 11375067
tert-butyl 2-benzyl-3-(4-chlorophenyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepine-5-carboxylate
CID 67268848
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)pyrazol-4-yl]acetic acid
CID 67265364

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide (CID 73213598) is N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide is CCc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CN(C(=O)CNS(C)(=O)=O)C2.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is MHSFXMCPCUCBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-3-15-6-4-5-7-20(15)27-22(16-8-10-17(23)11-9-16)18-13-26(14-19(18)25-27)21(28)12-24-31(2,29)30/h4-11,24H,3,12-14H2,1-2H3.
What are the key properties of N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 458.97 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 73213598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).