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

C69H76Cl3N9O7S — CID 157155668

IUPACtert-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
SMILESCOc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCN)C2.COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCNC(=O)OC(C)(C)C)C2.COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCNS(C)(=O)=O)C2
InChIInChI=1S/C26H30ClN3O3.C22H24ClN3O3S.C21H22ClN3O/c1-26(2,3)33-25(31)28-14-13-17-15-20-21(16-17)29-30(22-7-5-6-8-23(22)32-4)24(20)18-9-11-19(27)12-10-18;1-29-21-6-4-3-5-20(21)26-22(16-7-9-17(23)10-8-16)18-13-15(14-19(18)25-26)11-12-24-30(2,27)28;1-26-20-5-3-2-4-19(20)25-21(15-6-8-16(22)9-7-15)17-12-14(10-11-23)13-18(17)24-25/h5-12,17H,13-16H2,1-4H3,(H,28,31);3-10,15,24H,11-14H2,1-2H3;2-9,14H,10-13,23H2,1H3
InChIKeyALTUWULGXVCIDL-UHFFFAOYSA-N
MW1281.85 g/mol
LogP13.95
Rot. Bonds18

About 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

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 (PubChem CID 157155668) has the molecular formula C69H76Cl3N9O7S and a molecular weight of 1281.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID157155668
Molecular FormulaC69H76Cl3N9O7S
Molecular Weight1281.85 g/mol
Exact Mass1279.47
IUPAC Nametert-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
SMILESCOc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCN)C2.COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCNC(=O)OC(C)(C)C)C2.COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCNS(C)(=O)=O)C2
InChIInChI=1S/C26H30ClN3O3.C22H24ClN3O3S.C21H22ClN3O/c1-26(2,3)33-25(31)28-14-13-17-15-20-21(16-17)29-30(22-7-5-6-8-23(22)32-4)24(20)18-9-11-19(27)12-10-18;1-29-21-6-4-3-5-20(21)26-22(16-7-9-17(23)10-8-16)18-13-15(14-19(18)25-26)11-12-24-30(2,27)28;1-26-20-5-3-2-4-19(20)25-21(15-6-8-16(22)9-7-15)17-12-14(10-11-23)13-18(17)24-25/h5-12,17H,13-16H2,1-4H3,(H,28,31);3-10,15,24H,11-14H2,1-2H3;2-9,14H,10-13,23H2,1H3
InChIKeyALTUWULGXVCIDL-UHFFFAOYSA-N
XLogP13.95
TPSA191.67 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.85
LogP ≤ 513.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 102357682
N-[2-[3-(4-chlorophenyl)-2-(2-ethylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-oxoethyl]methanesulfonamide
CID 73213598
(4R,6R)-3'-(4-chlorophenyl)-2'-(2-methoxyphenyl)-4,6-dimethylspiro[1,3-dioxane-2,5'-4,6-dihydrocyclopenta[c]pyrazole]
CID 73331855
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
CID 163275284
N-(3-aminopropyl)methanesulfonamide;tert-butyl N-[3-(methanesulfonamido)propyl]carbamate
CID 157413343
benzyl N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]carbamate;benzyl N-(2-piperidin-4-ylethyl)carbamate;4-chloro-6,7-dimethoxyquinoline;2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethanamine;6,7-dimethoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinoline;sulfamoyl chloride
CID 161300728
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
tert-butyl N-[2-[1-(2-aminophenyl)piperidin-3-yl]ethyl]carbamate
CID 89272020
[2-(methanesulfonamido)phenyl] (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174809837
[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] methanesulfonate
CID 175577390
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
CID 66863225

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCN)C2.COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCNC(=O)OC(C)(C)C)C2.COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CC(CCNS(C)(=O)=O)C2.
What is the InChIKey of 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?
The InChIKey is ALTUWULGXVCIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O3.C22H24ClN3O3S.C21H22ClN3O/c1-26(2,3)33-25(31)28-14-13-17-15-20-21(16-17)29-30(22-7-5-6-8-23(22)32-4)24(20)18-9-11-19(27)12-10-18;1-29-21-6-4-3-5-20(21)26-22(16-7-9-17(23)10-8-16)18-13-15(14-19(18)25-26)11-12-24-30(2,27)28;1-26-20-5-3-2-4-19(20)25-21(15-6-8-16(22)9-7-15)17-12-14(10-11-23)13-18(17)24-25/h5-12,17H,13-16H2,1-4H3,(H,28,31);3-10,15,24H,11-14H2,1-2H3;2-9,14H,10-13,23H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1281.85 g/mol, XLogP of 13.95, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157155668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).