1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide

C₈₀H₁₀₀Br₃N₁₃O₁₁ — CID 164954522

About 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide

1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide (PubChem CID 164954522) has the molecular formula C₈₀H₁₀₀Br₃N₁₃O₁₁ and a molecular weight of 1659.47 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide.

Molecular Properties

• Compound Name: 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide
• PubChem CID: 164954522
• Molecular Formula: C₈₀H₁₀₀Br₃N₁₃O₁₁
• Molecular Weight: 1659.47 g/mol
• Exact Mass: 1655.52
• IUPAC Name: 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide
• SMILES: CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(Cc4ccc(Br)cc4)CC3)c2C1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(Cc2ccc(Br)cc2)CC1.Cc1ccc(CC2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)cc1.NC1(Cc2ccc(Br)cc2)CC1.O=C=O
• InChI: InChI=1S/C24H32N4O3.C23H29BrN4O3.C22H27BrN4O3.C10H12BrN.CO2/c1-17-6-8-18(9-7-17)14-24(10-11-24)26(5)21(29)19-15-25-28-13-12-27(16-20(19)28)22(30)31-23(2,3)4;1-22(2,3)31-21(30)27-11-12-28-19(15-27)18(14-25-28)20(29)26(4)23(9-10-23)13-16-5-7-17(24)8-6-16;1-21(2,3)30-20(29)26-10-11-27-18(14-26)17(13-24-27)19(28)25-22(8-9-22)12-15-4-6-16(23)7-5-15;11-9-3-1-8(2-4-9)7-10(12)5-6-10;2-1-3/h6-9,15H,10-14,16H2,1-5H3;5-8,14H,9-13,15H2,1-4H3;4-7,13H,8-12,14H2,1-3H3,(H,25,28);1-4H,5-7,12H2
• InChIKey: AZNCTZMZVKPBBJ-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 271.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.47
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide?

The IUPAC name of 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide (CID 164954522) is 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide.

What is the SMILES notation for 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide?

The canonical SMILES for 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide is CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NC3(Cc4ccc(Br)cc4)CC3)c2C1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(Cc2ccc(Br)cc2)CC1.Cc1ccc(CC2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)cc1.NC1(Cc2ccc(Br)cc2)CC1.O=C=O.

What is the InChIKey of 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide?

The InChIKey is AZNCTZMZVKPBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3.C23H29BrN4O3.C22H27BrN4O3.C10H12BrN.CO2/c1-17-6-8-18(9-7-17)14-24(10-11-24)26(5)21(29)19-15-25-28-13-12-27(16-20(19)28)22(30)31-23(2,3)4;1-22(2,3)31-21(30)27-11-12-28-19(15-27)18(14-25-28)20(29)26(4)23(9-10-23)13-16-5-7-17(24)8-6-16;1-21(2,3)30-20(29)26-10-11-27-18(14-26)17(13-24-27)19(28)25-22(8-9-22)12-15-4-6-16(23)7-5-15;11-9-3-1-8(2-4-9)7-10(12)5-6-10;2-1-3/h6-9,15H,10-14,16H2,1-5H3;5-8,14H,9-13,15H2,1-4H3;4-7,13H,8-12,14H2,1-3H3,(H,25,28);1-4H,5-7,12H2;.

What are the key properties of 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide?

1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide has a molecular weight of 1659.47 g/mol, XLogP of 13.83, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromophenyl)methyl]cyclopropan-1-amine;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-[(4-bromophenyl)methyl]cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-[(4-methylphenyl)methyl]cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide is sourced from PubChem (CID 164954522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164954522 — identifiers, structure, computed properties (public domain)

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