N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate

C72H83Cl6N9O5 — CID 162053438

About N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate

N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 162053438) has the molecular formula C72H83Cl6N9O5 and a molecular weight of 1367.23 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

• Compound Name: N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
• PubChem CID: 162053438
• Molecular Formula: C72H83Cl6N9O5
• Molecular Weight: 1367.23 g/mol
• Exact Mass: 1363.46
• IUPAC Name: N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
• SMILES: CC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC2.CCOC(=O)[C@H]1C2CCC(C2)[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC2.O=C(NC1C2CC3CC(C2)CC1C3)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC2
• InChI: InChI=1S/C24H27Cl2N3O3.C24H27Cl2N3O.C24H29Cl2N3O/c1-2-32-24(31)20-13-7-8-14(11-13)21(20)27-23(30)22-16-5-3-4-6-18(16)29(28-22)19-10-9-15(25)12-17(19)26;25-17-5-6-21(19(26)12-17)29-20-4-2-1-3-18(20)23(28-29)24(30)27-22-15-8-13-7-14(10-15)11-16(22)9-13;1-23(2)14-10-11-24(3,13-14)22(23)27-21(30)20-16-6-4-5-7-18(16)29(28-20)19-9-8-15(25)12-17(19)26/h9-10,12-14,20-21H,2-8,11H2,1H3,(H,27,30);5-6,12-16,22H,1-4,7-11H2,(H,27,30);8-9,12,14,22H,4-7,10-11,13H2,1-3H3,(H,27,30)/t13?,14?,20-,21+;;/m0../s1
• InChIKey: YYVUVHSUFCLJRP-NYSHNNBBSA-N
• XLogP: 16.38
• TPSA: 167.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.23
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate?

The IUPAC name of N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate (CID 162053438) is N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate.

What is the SMILES notation for N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate?

The canonical SMILES for N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate is CC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC2.CCOC(=O)[C@H]1C2CCC(C2)[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC2.O=C(NC1C2CC3CC(C2)CC1C3)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC2.

What is the InChIKey of N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate?

The InChIKey is YYVUVHSUFCLJRP-NYSHNNBBSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3.C24H27Cl2N3O.C24H29Cl2N3O/c1-2-32-24(31)20-13-7-8-14(11-13)21(20)27-23(30)22-16-5-3-4-6-18(16)29(28-22)19-10-9-15(25)12-17(19)26;25-17-5-6-21(19(26)12-17)29-20-4-2-1-3-18(20)23(28-29)24(30)27-22-15-8-13-7-14(10-15)11-16(22)9-13;1-23(2)14-10-11-24(3,13-14)22(23)27-21(30)20-16-6-4-5-7-18(16)29(28-20)19-9-8-15(25)12-17(19)26/h9-10,12-14,20-21H,2-8,11H2,1H3,(H,27,30);5-6,12-16,22H,1-4,7-11H2,(H,27,30);8-9,12,14,22H,4-7,10-11,13H2,1-3H3,(H,27,30)/t13?,14?,20-,21+;;/m0../s1.

What are the key properties of N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate?

N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 1367.23 g/mol, XLogP of 16.38, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 162053438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).