tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate

C70H90N6O15 — CID 167594927

About tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate

tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate (PubChem CID 167594927) has the molecular formula C70H90N6O15 and a molecular weight of 1255.52 g/mol. Its IUPAC name is tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate.

Molecular Properties

• Compound Name: tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
• PubChem CID: 167594927
• Molecular Formula: C70H90N6O15
• Molecular Weight: 1255.52 g/mol
• Exact Mass: 1254.65
• IUPAC Name: tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
• SMILES: CCC1(c2ccc(C(=O)OC)cc2)CC1.COC(=O)c1ccc(C2(N(C)C(=O)OC(C)(C)C)CC2)cc1.COC(=O)c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1.Cc1ccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)cc1.O=C=O
• InChI: InChI=1S/C23H30N4O3.C17H23NO4.C16H21NO4.C13H16O2.CO2/c1-16-6-8-17(9-7-16)23(10-11-23)25(5)20(28)18-14-24-27-13-12-26(15-19(18)27)21(29)30-22(2,3)4;1-16(2,3)22-15(20)18(4)17(10-11-17)13-8-6-12(7-9-13)14(19)21-5;1-15(2,3)21-14(19)17-16(9-10-16)12-7-5-11(6-8-12)13(18)20-4;1-3-13(8-9-13)11-6-4-10(5-7-11)12(14)15-2;2-1-3/h6-9,14H,10-13,15H2,1-5H3;6-9H,10-11H2,1-5H3;5-8H,9-10H2,1-4H3,(H,17,19);4-7H,3,8-9H2,1-2H3
• InChIKey: IXXFIXZYPVJMAL-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 248.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.52
LogP ≤ 5	12.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate?

The IUPAC name of tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate (CID 167594927) is tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate.

What is the SMILES notation for tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate?

The canonical SMILES for tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate is CCC1(c2ccc(C(=O)OC)cc2)CC1.COC(=O)c1ccc(C2(N(C)C(=O)OC(C)(C)C)CC2)cc1.COC(=O)c1ccc(C2(NC(=O)OC(C)(C)C)CC2)cc1.Cc1ccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)cc1.O=C=O.

What is the InChIKey of tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate?

The InChIKey is IXXFIXZYPVJMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3.C17H23NO4.C16H21NO4.C13H16O2.CO2/c1-16-6-8-17(9-7-16)23(10-11-23)25(5)20(28)18-14-24-27-13-12-26(15-19(18)27)21(29)30-22(2,3)4;1-16(2,3)22-15(20)18(4)17(10-11-17)13-8-6-12(7-9-13)14(19)21-5;1-15(2,3)21-14(19)17-16(9-10-16)12-7-5-11(6-8-12)13(18)20-4;1-3-13(8-9-13)11-6-4-10(5-7-11)12(14)15-2;2-1-3/h6-9,14H,10-13,15H2,1-5H3;6-9H,10-11H2,1-5H3;5-8H,9-10H2,1-4H3,(H,17,19);4-7H,3,8-9H2,1-2H3;.

What are the key properties of tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate?

tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate has a molecular weight of 1255.52 g/mol, XLogP of 12.35, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[methyl-[1-(4-methylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;carbon dioxide;methyl 4-(1-ethylcyclopropyl)benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate is sourced from PubChem (CID 167594927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).