N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C75H107N9O5 — CID 158434276

About N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 158434276) has the molecular formula C75H107N9O5 and a molecular weight of 1214.74 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
• PubChem CID: 158434276
• Molecular Formula: C75H107N9O5
• Molecular Weight: 1214.74 g/mol
• Exact Mass: 1213.84
• IUPAC Name: N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
• SMILES: CC(c1ccccc1)n1nc(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2c1CCCC2.CC(c1ccccc1)n1nc(C(=O)N[C@@H](C)C2CCCCC2)c2c1CCCC2.CCOC(=O)C1CCc2c(c(C(=O)N[C@H](C)C3CCCCC3)nn2C2CCCCC2)C1
• InChI: InChI=1S/C26H35N3O.C25H39N3O3.C24H33N3O/c1-17(18-10-6-5-7-11-18)29-21-13-9-8-12-20(21)22(28-29)23(30)27-24-25(2,3)19-14-15-26(24,4)16-19;1-3-31-25(30)19-14-15-22-21(16-19)23(27-28(22)20-12-8-5-9-13-20)24(29)26-17(2)18-10-6-4-7-11-18;1-17(19-11-5-3-6-12-19)25-24(28)23-21-15-9-10-16-22(21)27(26-23)18(2)20-13-7-4-8-14-20/h5-7,10-11,17,19,24H,8-9,12-16H2,1-4H3,(H,27,30);17-20H,3-16H2,1-2H3,(H,26,29);4,7-8,13-14,17-19H,3,5-6,9-12,15-16H2,1-2H3,(H,25,28)/t;17-,19?;17-,18?/m.10/s1
• InChIKey: HCANSDBIHJXWOO-JBGUFVKHSA-N
• XLogP: 15.14
• TPSA: 167.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.74
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?

The IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 158434276) is N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(c1ccccc1)n1nc(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2c1CCCC2.CC(c1ccccc1)n1nc(C(=O)N[C@@H](C)C2CCCCC2)c2c1CCCC2.CCOC(=O)C1CCc2c(c(C(=O)N[C@H](C)C3CCCCC3)nn2C2CCCCC2)C1.

What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?

The InChIKey is HCANSDBIHJXWOO-JBGUFVKHSA-N. The full InChI is InChI=1S/C26H35N3O.C25H39N3O3.C24H33N3O/c1-17(18-10-6-5-7-11-18)29-21-13-9-8-12-20(21)22(28-29)23(30)27-24-25(2,3)19-14-15-26(24,4)16-19;1-3-31-25(30)19-14-15-22-21(16-19)23(27-28(22)20-12-8-5-9-13-20)24(29)26-17(2)18-10-6-4-7-11-18;1-17(19-11-5-3-6-12-19)25-24(28)23-21-15-9-10-16-22(21)27(26-23)18(2)20-13-7-4-8-14-20/h5-7,10-11,17,19,24H,8-9,12-16H2,1-4H3,(H,27,30);17-20H,3-16H2,1-2H3,(H,26,29);4,7-8,13-14,17-19H,3,5-6,9-12,15-16H2,1-2H3,(H,25,28)/t;17-,19?;17-,18?/m.10/s1.

What are the key properties of N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?

N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 1214.74 g/mol, XLogP of 15.14, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 158434276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).