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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C76H92Br3N13O11 — CID 165030544

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 165030544) 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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• PubChem CID: 165030544
• 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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• 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.COC(=O)c1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1.NC1(c2cccc(Br)c2)CC1
• InChI: InChI=1S/C24H30N4O5.C22H27BrN4O3.C21H25BrN4O3.C9H10BrN/c1-23(2,3)33-22(31)27-11-12-28-19(15-27)18(14-25-28)20(29)26(4)24(9-10-24)17-8-6-7-16(13-17)21(30)32-5;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/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: MOUSNACREZTQGO-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 264.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.36
LogP ≤ 5	13.55
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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 165030544) 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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate 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.COC(=O)c1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1.NC1(c2cccc(Br)c2)CC1.

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The InChIKey is MOUSNACREZTQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5.C22H27BrN4O3.C21H25BrN4O3.C9H10BrN/c1-23(2,3)33-22(31)27-11-12-28-19(15-27)18(14-25-28)20(29)26(4)24(9-10-24)17-8-6-7-16(13-17)21(30)32-5;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/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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 1603.36 g/mol, XLogP of 13.55, 11 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-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 165030544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).