1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid

C140H173Br5N20O19 — CID 167661168

About 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid

1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid (PubChem CID 167661168) has the molecular formula C140H173Br5N20O19 and a molecular weight of 2839.56 g/mol. Its IUPAC name is 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid.

Molecular Properties

• Compound Name: 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid
• PubChem CID: 167661168
• Molecular Formula: C140H173Br5N20O19
• Molecular Weight: 2839.56 g/mol
• Exact Mass: 2832.91
• IUPAC Name: 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid
• SMILES: C=Cc1ccccc1C1(N(C)C(=O)c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1.CC(C)(C)OC(=O)NC1(c2ccccc2Br)CC1.CN(C(=O)OC(C)(C)C)C1(c2ccccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2C(=O)O)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2C=O)CC1.CNC1(c2ccccc2Br)CC1.NC1(c2ccccc2Br)CC1
• InChI: InChI=1S/C24H30N4O3.C23H28N4O5.C23H28N4O4.C22H27BrN4O3.C15H20BrNO2.C14H18BrNO2.C10H12BrN.C9H10BrN/c1-6-17-9-7-8-10-19(17)24(11-12-24)26(5)21(29)18-15-25-28-14-13-27(16-20(18)28)22(30)31-23(2,3)4;1-22(2,3)32-21(31)26-11-12-27-18(14-26)16(13-24-27)19(28)25(4)23(9-10-23)17-8-6-5-7-15(17)20(29)30;1-22(2,3)31-21(30)26-11-12-27-19(14-26)17(13-24-27)20(29)25(4)23(9-10-23)18-8-6-5-7-16(18)15-28;1-21(2,3)30-20(29)26-11-12-27-18(14-26)15(13-24-27)19(28)25(4)22(9-10-22)16-7-5-6-8-17(16)23;1-14(2,3)19-13(18)17(4)15(9-10-15)11-7-5-6-8-12(11)16;1-13(2,3)18-12(17)16-14(8-9-14)10-6-4-5-7-11(10)15;1-12-10(6-7-10)8-4-2-3-5-9(8)11;10-8-4-2-1-3-7(8)9(11)5-6-9/h6-10,15H,1,11-14,16H2,2-5H3;5-8,13H,9-12,14H2,1-4H3,(H,29,30);5-8,13,15H,9-12,14H2,1-4H3;5-8,13H,9-12,14H2,1-4H3;5-8H,9-10H2,1-4H3;4-7H,8-9H2,1-3H3,(H,16,17);2-5,12H,6-7H2,1H3;1-4H,5-6,11H2
• InChIKey: RZCMDZOZBRYKIQ-UHFFFAOYSA-N
• XLogP: 27.82
• TPSA: 430.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2839.56
LogP ≤ 5	27.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?

The IUPAC name of 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid (CID 167661168) is 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid.

What is the SMILES notation for 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?

The canonical SMILES for 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid is C=Cc1ccccc1C1(N(C)C(=O)c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)CC1.CC(C)(C)OC(=O)NC1(c2ccccc2Br)CC1.CN(C(=O)OC(C)(C)C)C1(c2ccccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2Br)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2C(=O)O)CC1.CN(C(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccccc2C=O)CC1.CNC1(c2ccccc2Br)CC1.NC1(c2ccccc2Br)CC1.

What is the InChIKey of 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?

The InChIKey is RZCMDZOZBRYKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.C23H28N4O5.C23H28N4O4.C22H27BrN4O3.C15H20BrNO2.C14H18BrNO2.C10H12BrN.C9H10BrN/c1-6-17-9-7-8-10-19(17)24(11-12-24)26(5)21(29)18-15-25-28-14-13-27(16-20(18)28)22(30)31-23(2,3)4;1-22(2,3)32-21(31)26-11-12-27-18(14-26)16(13-24-27)19(28)25(4)23(9-10-23)17-8-6-5-7-15(17)20(29)30;1-22(2,3)31-21(30)26-11-12-27-19(14-26)17(13-24-27)20(29)25(4)23(9-10-23)18-8-6-5-7-16(18)15-28;1-21(2,3)30-20(29)26-11-12-27-18(14-26)15(13-24-27)19(28)25(4)22(9-10-22)16-7-5-6-8-17(16)23;1-14(2,3)19-13(18)17(4)15(9-10-15)11-7-5-6-8-12(11)16;1-13(2,3)18-12(17)16-14(8-9-14)10-6-4-5-7-11(10)15;1-12-10(6-7-10)8-4-2-3-5-9(8)11;10-8-4-2-1-3-7(8)9(11)5-6-9/h6-10,15H,1,11-14,16H2,2-5H3;5-8,13H,9-12,14H2,1-4H3,(H,29,30);5-8,13,15H,9-12,14H2,1-4H3;5-8,13H,9-12,14H2,1-4H3;5-8H,9-10H2,1-4H3;4-7H,8-9H2,1-3H3,(H,16,17);2-5,12H,6-7H2,1H3;1-4H,5-6,11H2.

What are the key properties of 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid?

1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid has a molecular weight of 2839.56 g/mol, XLogP of 27.82, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromophenyl)cyclopropan-1-amine;1-(2-bromophenyl)-N-methylcyclopropan-1-amine;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[1-(2-bromophenyl)cyclopropyl]-N-methylcarbamate;tert-butyl 3-[[1-(2-bromophenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-ethenylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-[[1-(2-formylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;2-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]benzoic acid is sourced from PubChem (CID 167661168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).