tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C109H118Cl3N21O7 — CID 157133883

About tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 157133883) has the molecular formula C109H118Cl3N21O7 and a molecular weight of 1940.64 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
• PubChem CID: 157133883
• Molecular Formula: C109H118Cl3N21O7
• Molecular Weight: 1940.64 g/mol
• Exact Mass: 1937.86
• IUPAC Name: tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
• SMILES: CC1Cc2[nH]nc(-c3ccccc3)c2CN1.CC1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1.CC1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)OC(C)(C)C.CC1NCCc2[nH]nc(-c3ccccc3)c21.CC1c2c(-c3ccccc3)n[nH]c2CCN1C(=O)Nc1cccc(Cl)c1.CC1c2c(-c3ccccc3)n[nH]c2CCN1C(=O)OC(C)(C)C.O=C=Nc1cccc(Cl)c1
• InChI: InChI=1S/2C20H19ClN4O.2C18H23N3O2.2C13H15N3.C7H4ClNO/c1-13-10-18-17(19(24-23-18)14-6-3-2-4-7-14)12-25(13)20(26)22-16-9-5-8-15(21)11-16;1-13-18-17(23-24-19(18)14-6-3-2-4-7-14)10-11-25(13)20(26)22-16-9-5-8-15(21)12-16;1-12-10-15-14(11-21(12)17(22)23-18(2,3)4)16(20-19-15)13-8-6-5-7-9-13;1-12-15-14(10-11-21(12)17(22)23-18(2,3)4)19-20-16(15)13-8-6-5-7-9-13;1-9-7-12-11(8-14-9)13(16-15-12)10-5-3-2-4-6-10;1-9-12-11(7-8-14-9)15-16-13(12)10-5-3-2-4-6-10;8-6-2-1-3-7(4-6)9-5-10/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24);2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24);2*5-9,12H,10-11H2,1-4H3,(H,19,20);2*2-6,9,14H,7-8H2,1H3,(H,15,16);1-4H
• InChIKey: AJJWFIWWMKODEX-UHFFFAOYSA-N
• XLogP: 23.98
• TPSA: 349.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1940.64
LogP ≤ 5	23.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?

The IUPAC name of tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 157133883) is tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is CC1Cc2[nH]nc(-c3ccccc3)c2CN1.CC1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1.CC1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)OC(C)(C)C.CC1NCCc2[nH]nc(-c3ccccc3)c21.CC1c2c(-c3ccccc3)n[nH]c2CCN1C(=O)Nc1cccc(Cl)c1.CC1c2c(-c3ccccc3)n[nH]c2CCN1C(=O)OC(C)(C)C.O=C=Nc1cccc(Cl)c1.

What is the InChIKey of tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?

The InChIKey is AJJWFIWWMKODEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19ClN4O.2C18H23N3O2.2C13H15N3.C7H4ClNO/c1-13-10-18-17(19(24-23-18)14-6-3-2-4-7-14)12-25(13)20(26)22-16-9-5-8-15(21)11-16;1-13-18-17(23-24-19(18)14-6-3-2-4-7-14)10-11-25(13)20(26)22-16-9-5-8-15(21)12-16;1-12-10-15-14(11-21(12)17(22)23-18(2,3)4)16(20-19-15)13-8-6-5-7-9-13;1-12-15-14(10-11-21(12)17(22)23-18(2,3)4)19-20-16(15)13-8-6-5-7-9-13;1-9-7-12-11(8-14-9)13(16-15-12)10-5-3-2-4-6-10;1-9-12-11(7-8-14-9)15-16-13(12)10-5-3-2-4-6-10;8-6-2-1-3-7(4-6)9-5-10/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24);2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24);2*5-9,12H,10-11H2,1-4H3,(H,19,20);2*2-6,9,14H,7-8H2,1H3,(H,15,16);1-4H.

What are the key properties of tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?

tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 1940.64 g/mol, XLogP of 23.98, 9 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;1-chloro-3-isocyanatobenzene;N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;6-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 157133883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).