tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol

C79H115BClF3N16O13S — CID 159045125

About tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol

tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol (PubChem CID 159045125) has the molecular formula C79H115BClF3N16O13S and a molecular weight of 1632.21 g/mol. Its IUPAC name is tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol.

Molecular Properties

• Compound Name: tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol
• PubChem CID: 159045125
• Molecular Formula: C79H115BClF3N16O13S
• Molecular Weight: 1632.21 g/mol
• Exact Mass: 1630.83
• IUPAC Name: tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol
• SMILES: C1CCC(c2n[nH]c3c2CNCC3)C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(C3=CCCC3)c2C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCCC3)c2C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(OS(=O)(=O)C(F)(F)F)c2C1.CO.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CCCC3)c2C1.OB(O)C1=CCCC1
• InChI: InChI=1S/C18H21ClN4O.C16H25N3O2.C16H23N3O2.C12H16F3N3O5S.C11H17N3.C5H9BO2.CH4O/c19-13-6-3-7-14(10-13)20-18(24)23-9-8-16-15(11-23)17(22-21-16)12-4-1-2-5-12;2*1-16(2,3)21-15(20)19-9-8-13-12(10-19)14(18-17-13)11-6-4-5-7-11;1-11(2,3)22-10(19)18-5-4-8-7(6-18)9(17-16-8)23-24(20,21)12(13,14)15;1-2-4-8(3-1)11-9-7-12-6-5-10(9)13-14-11;7-6(8)5-3-1-2-4-5;1-2/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,20,24)(H,21,22);11H,4-10H2,1-3H3,(H,17,18);6H,4-5,7-10H2,1-3H3,(H,17,18);4-6H2,1-3H3,(H,16,17);8,12H,1-7H2,(H,13,14);3,7-8H,1-2,4H2;2H,1H3
• InChIKey: JWOCKEQIQLJQFT-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 380.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.21
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol?

The IUPAC name of tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol (CID 159045125) is tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol.

What is the SMILES notation for tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol?

The canonical SMILES for tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol is C1CCC(c2n[nH]c3c2CNCC3)C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(C3=CCCC3)c2C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(C3CCCC3)c2C1.CC(C)(C)OC(=O)N1CCc2[nH]nc(OS(=O)(=O)C(F)(F)F)c2C1.CO.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CCCC3)c2C1.OB(O)C1=CCCC1.

What is the InChIKey of tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol?

The InChIKey is JWOCKEQIQLJQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O.C16H25N3O2.C16H23N3O2.C12H16F3N3O5S.C11H17N3.C5H9BO2.CH4O/c19-13-6-3-7-14(10-13)20-18(24)23-9-8-16-15(11-23)17(22-21-16)12-4-1-2-5-12;2*1-16(2,3)21-15(20)19-9-8-13-12(10-19)14(18-17-13)11-6-4-5-7-11;1-11(2,3)22-10(19)18-5-4-8-7(6-18)9(17-16-8)23-24(20,21)12(13,14)15;1-2-4-8(3-1)11-9-7-12-6-5-10(9)13-14-11;7-6(8)5-3-1-2-4-5;1-2/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,20,24)(H,21,22);11H,4-10H2,1-3H3,(H,17,18);6H,4-5,7-10H2,1-3H3,(H,17,18);4-6H2,1-3H3,(H,16,17);8,12H,1-7H2,(H,13,14);3,7-8H,1-2,4H2;2H,1H3.

What are the key properties of tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol?

tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol has a molecular weight of 1632.21 g/mol, XLogP of 14.30, 8 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-(cyclopenten-1-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-(trifluoromethylsulfonyloxy)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;cyclopenten-1-ylboronic acid;3-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol is sourced from PubChem (CID 159045125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).