tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane

C101H144Cl3F2IN22O15 — CID 158753470

About tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane

tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane (PubChem CID 158753470) has the molecular formula C101H144Cl3F2IN22O15 and a molecular weight of 2177.66 g/mol. Its IUPAC name is tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane.

Molecular Properties

• Compound Name: tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane
• PubChem CID: 158753470
• Molecular Formula: C101H144Cl3F2IN22O15
• Molecular Weight: 2177.66 g/mol
• Exact Mass: 2174.93
• IUPAC Name: tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane
• SMILES: C.C.C.CC(C)(C)OC(=O)N1CCn2ncc(CC(=O)C3CCCC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(N)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(NC=O)c2C1.O=C(Cc1cnn2c1CNCC2)C1CCCC1.O=C(Cl)C1CCCC1.O=C(Nc1cnn2c1CN(C(=O)Cc1ccc(F)c(Cl)c1)CC2)C1CCCC1.O=C=Nc1ccc(Cl)c(F)c1
• InChI: InChI=1S/C20H22ClFN4O2.C18H27N3O3.C13H19N3O.C12H18N4O3.C11H16IN3O2.C11H18N4O2.C7H3ClFNO.C6H9ClO.3CH4/c21-15-9-13(5-6-16(15)22)10-19(27)25-7-8-26-18(12-25)17(11-23-26)24-20(28)14-3-1-2-4-14;1-18(2,3)24-17(23)20-8-9-21-15(12-20)14(11-19-21)10-16(22)13-6-4-5-7-13;17-13(10-3-1-2-4-10)7-11-8-15-16-6-5-14-9-12(11)16;1-12(2,3)19-11(18)15-4-5-16-10(7-15)9(6-14-16)13-8-17;2*1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;8-6-2-1-5(10-4-11)3-7(6)9;7-6(8)5-3-1-2-4-5;;;/h5-6,9,11,14H,1-4,7-8,10,12H2,(H,24,28);11,13H,4-10,12H2,1-3H3;8,10,14H,1-7,9H2;6,8H,4-5,7H2,1-3H3,(H,13,17);6H,4-5,7H2,1-3H3;6H,4-5,7,12H2,1-3H3;1-3H;5H,1-4H2;3*1H4
• InChIKey: INTPVTGESWGOGP-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 422.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2177.66
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane?

The IUPAC name of tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane (CID 158753470) is tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane.

What is the SMILES notation for tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane?

The canonical SMILES for tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane is C.C.C.CC(C)(C)OC(=O)N1CCn2ncc(CC(=O)C3CCCC3)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(I)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(N)c2C1.CC(C)(C)OC(=O)N1CCn2ncc(NC=O)c2C1.O=C(Cc1cnn2c1CNCC2)C1CCCC1.O=C(Cl)C1CCCC1.O=C(Nc1cnn2c1CN(C(=O)Cc1ccc(F)c(Cl)c1)CC2)C1CCCC1.O=C=Nc1ccc(Cl)c(F)c1.

What is the InChIKey of tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane?

The InChIKey is INTPVTGESWGOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2.C18H27N3O3.C13H19N3O.C12H18N4O3.C11H16IN3O2.C11H18N4O2.C7H3ClFNO.C6H9ClO.3CH4/c21-15-9-13(5-6-16(15)22)10-19(27)25-7-8-26-18(12-25)17(11-23-26)24-20(28)14-3-1-2-4-14;1-18(2,3)24-17(23)20-8-9-21-15(12-20)14(11-19-21)10-16(22)13-6-4-5-7-13;17-13(10-3-1-2-4-10)7-11-8-15-16-6-5-14-9-12(11)16;1-12(2,3)19-11(18)15-4-5-16-10(7-15)9(6-14-16)13-8-17;2*1-11(2,3)17-10(16)14-4-5-15-9(7-14)8(12)6-13-15;8-6-2-1-5(10-4-11)3-7(6)9;7-6(8)5-3-1-2-4-5;;;/h5-6,9,11,14H,1-4,7-8,10,12H2,(H,24,28);11,13H,4-10,12H2,1-3H3;8,10,14H,1-7,9H2;6,8H,4-5,7H2,1-3H3,(H,13,17);6H,4-5,7H2,1-3H3;6H,4-5,7,12H2,1-3H3;1-3H;5H,1-4H2;3*1H4.

What are the key properties of tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane?

tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane has a molecular weight of 2177.66 g/mol, XLogP of 18.57, 14 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-(2-cyclopentyl-2-oxoethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-formamido-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;1-chloro-2-fluoro-4-isocyanatobenzene;N-[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cyclopentanecarboxamide;cyclopentanecarbonyl chloride;1-cyclopentyl-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone;methane is sourced from PubChem (CID 158753470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).