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

C₇₆H₉₂Br₃N₁₃O₁₁ — CID 167542463

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

1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide (PubChem CID 167542463) has the molecular formula C₇₆H₉₂Br₃N₁₃O₁₁ and a molecular weight of 1603.36 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide
• PubChem CID: 167542463
• Molecular Formula: C₇₆H₉₂Br₃N₁₃O₁₁
• Molecular Weight: 1603.36 g/mol
• Exact Mass: 1599.46
• IUPAC Name: 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)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(c4cccc(Br)c4)CC3)c2C1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2cccc(Br)c2)CC1.Cc1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1.NC1(c2cccc(Br)c2)CC1.O=C=O
• InChI: InChI=1S/C23H30N4O3.C22H27BrN4O3.C21H25BrN4O3.C9H10BrN.CO2/c1-16-7-6-8-17(13-16)23(9-10-23)25(5)20(28)18-14-24-27-12-11-26(15-19(18)27)21(29)30-22(2,3)4;1-21(2,3)30-20(29)26-10-11-27-18(14-26)17(13-24-27)19(28)25(4)22(8-9-22)15-6-5-7-16(23)12-15;1-20(2,3)29-19(28)25-9-10-26-17(13-25)16(12-23-26)18(27)24-21(7-8-21)14-5-4-6-15(22)11-14;10-8-3-1-2-7(6-8)9(11)4-5-9;2-1-3/h6-8,13-14H,9-12,15H2,1-5H3;5-7,12-13H,8-11,14H2,1-4H3;4-6,11-12H,7-10,13H2,1-3H3,(H,24,27);1-3,6H,4-5,11H2
• InChIKey: BJGXHNQTPOPPFI-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 271.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.36
LogP ≤ 5	13.49
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-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide?

The IUPAC name of 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide (CID 167542463) is 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide.

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

The canonical SMILES for 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)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(c4cccc(Br)c4)CC3)c2C1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2cccc(Br)c2)CC1.Cc1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1.NC1(c2cccc(Br)c2)CC1.O=C=O.

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

The InChIKey is BJGXHNQTPOPPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3.C22H27BrN4O3.C21H25BrN4O3.C9H10BrN.CO2/c1-16-7-6-8-17(13-16)23(9-10-23)25(5)20(28)18-14-24-27-12-11-26(15-19(18)27)21(29)30-22(2,3)4;1-21(2,3)30-20(29)26-10-11-27-18(14-26)17(13-24-27)19(28)25(4)22(8-9-22)15-6-5-7-16(23)12-15;1-20(2,3)29-19(28)25-9-10-26-17(13-25)16(12-23-26)18(27)24-21(7-8-21)14-5-4-6-15(22)11-14;10-8-3-1-2-7(6-8)9(11)4-5-9;2-1-3/h6-8,13-14H,9-12,15H2,1-5H3;5-7,12-13H,8-11,14H2,1-4H3;4-6,11-12H,7-10,13H2,1-3H3,(H,24,27);1-3,6H,4-5,11H2;.

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

1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide has a molecular weight of 1603.36 g/mol, XLogP of 13.49, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)cyclopropan-1-amine;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[methyl-[1-(3-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide is sourced from PubChem (CID 167542463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167542463 — identifiers, structure, computed properties (public domain)

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