4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C75H96N18O6 — CID 162008850

About 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 162008850) has the molecular formula C75H96N18O6 and a molecular weight of 1345.71 g/mol. Its IUPAC name is 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 162008850
• Molecular Formula: C75H96N18O6
• Molecular Weight: 1345.71 g/mol
• Exact Mass: 1344.78
• IUPAC Name: 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: C/C=C/CCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2.CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCC(N)=O)C1.CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCCC#N)C1.CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCCO)C1
• InChI: InChI=1S/C20H26N4O.C19H23N5O.C18H23N5O2.C18H24N4O2/c1-4-5-6-11-24-19-10-12-23(16(3)25)14-18(19)20(22-24)21-17-9-7-8-15(2)13-17;1-14-6-5-7-16(12-14)21-19-17-13-23(15(2)25)11-8-18(17)24(22-19)10-4-3-9-20;1-12-4-3-5-14(10-12)20-18-15-11-22(13(2)24)8-6-16(15)23(21-18)9-7-17(19)25;1-13-5-3-6-15(11-13)19-18-16-12-21(14(2)24)9-7-17(16)22(20-18)8-4-10-23/h4-5,7-9,13H,6,10-12,14H2,1-3H3,(H,21,22);5-7,12H,3-4,8,10-11,13H2,1-2H3,(H,21,22);3-5,10H,6-9,11H2,1-2H3,(H2,19,25)(H,20,21);3,5-6,11,23H,4,7-10,12H2,1-2H3,(H,19,20)/b5-4+
• InChIKey: YTETWMSIULVMMX-WVFFXBQBSA-N
• XLogP: 10.89
• TPSA: 287.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1345.71
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 162008850) is 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is C/C=C/CCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2.CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCC(N)=O)C1.CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCCC#N)C1.CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CCCO)C1.

What is the InChIKey of 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is YTETWMSIULVMMX-WVFFXBQBSA-N. The full InChI is InChI=1S/C20H26N4O.C19H23N5O.C18H23N5O2.C18H24N4O2/c1-4-5-6-11-24-19-10-12-23(16(3)25)14-18(19)20(22-24)21-17-9-7-8-15(2)13-17;1-14-6-5-7-16(12-14)21-19-17-13-23(15(2)25)11-8-18(17)24(22-19)10-4-3-9-20;1-12-4-3-5-14(10-12)20-18-15-11-22(13(2)24)8-6-16(15)23(21-18)9-7-17(19)25;1-13-5-3-6-15(11-13)19-18-16-12-21(14(2)24)9-7-17(16)22(20-18)8-4-10-23/h4-5,7-9,13H,6,10-12,14H2,1-3H3,(H,21,22);5-7,12H,3-4,8,10-11,13H2,1-2H3,(H,21,22);3-5,10H,6-9,11H2,1-2H3,(H2,19,25)(H,20,21);3,5-6,11,23H,4,7-10,12H2,1-2H3,(H,19,20)/b5-4+;;;.

What are the key properties of 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1345.71 g/mol, XLogP of 10.89, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanenitrile;3-[5-acetyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-(3-hydroxypropyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(3-methylanilino)-1-[(E)-pent-3-enyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 162008850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).