3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C105H121Cl6F2N23O6 — CID 160829753

About 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 160829753) has the molecular formula C105H121Cl6F2N23O6 and a molecular weight of 2051.99 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 160829753
• Molecular Formula: C105H121Cl6F2N23O6
• Molecular Weight: 2051.99 g/mol
• Exact Mass: 2047.80
• IUPAC Name: 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC/C=C/c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC1(c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)CCC1.CCC(C)(C)C1=NCC2=C1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCC(F)(F)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CC=CC3)c2C1
• InChI: InChI=1S/C19H24ClN3O.C18H21ClN4O.C18H19ClN4O.C17H21ClN4O.C17H19ClN4O.C16H17ClF2N4O/c1-4-19(2,3)17-16-12-23(9-8-13(16)11-21-17)18(24)22-15-7-5-6-14(20)10-15;1-18(7-3-8-18)16-14-11-23(9-6-15(14)21-22-16)17(24)20-13-5-2-4-12(19)10-13;19-13-6-3-7-14(10-13)20-18(24)23-9-8-16-15(11-23)17(22-21-16)12-4-1-2-5-12;2*1-2-3-7-15-14-11-22(9-8-16(14)21-20-15)17(23)19-13-6-4-5-12(18)10-13;1-2-16(18,19)14-12-9-23(7-6-13(12)21-22-14)15(24)20-11-5-3-4-10(17)8-11/h5-7,10H,4,8-9,11-12H2,1-3H3,(H,22,24);2,4-5,10H,3,6-9,11H2,1H3,(H,20,24)(H,21,22);1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,24)(H,21,22);4-6,10H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,21);3-7,10H,2,8-9,11H2,1H3,(H,19,23)(H,20,21);3-5,8H,2,6-7,9H2,1H3,(H,20,24)(H,21,22)/b;;;;7-3+
• InChIKey: SGQIGQLVDZQQQB-SADIJRGMSA-N
• XLogP: 25.17
• TPSA: 349.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2051.99
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 160829753) is 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC/C=C/c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC1(c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)CCC1.CCC(C)(C)C1=NCC2=C1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCC(F)(F)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CC=CC3)c2C1.

What is the InChIKey of 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is SGQIGQLVDZQQQB-SADIJRGMSA-N. The full InChI is InChI=1S/C19H24ClN3O.C18H21ClN4O.C18H19ClN4O.C17H21ClN4O.C17H19ClN4O.C16H17ClF2N4O/c1-4-19(2,3)17-16-12-23(9-8-13(16)11-21-17)18(24)22-15-7-5-6-14(20)10-15;1-18(7-3-8-18)16-14-11-23(9-6-15(14)21-22-16)17(24)20-13-5-2-4-12(19)10-13;19-13-6-3-7-14(10-13)20-18(24)23-9-8-16-15(11-23)17(22-21-16)12-4-1-2-5-12;2*1-2-3-7-15-14-11-22(9-8-16(14)21-20-15)17(23)19-13-6-4-5-12(18)10-13;1-2-16(18,19)14-12-9-23(7-6-13(12)21-22-14)15(24)20-11-5-3-4-10(17)8-11/h5-7,10H,4,8-9,11-12H2,1-3H3,(H,22,24);2,4-5,10H,3,6-9,11H2,1H3,(H,20,24)(H,21,22);1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,24)(H,21,22);4-6,10H,2-3,7-9,11H2,1H3,(H,19,23)(H,20,21);3-7,10H,2,8-9,11H2,1H3,(H,19,23)(H,20,21);3-5,8H,2,6-7,9H2,1H3,(H,20,24)(H,21,22)/b;;;;7-3+;.

What are the key properties of 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 2051.99 g/mol, XLogP of 25.17, 17 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-but-1-enyl]-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-butyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-cyclopent-3-en-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1,1-difluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylbutan-2-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(1-methylcyclobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 160829753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).