N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine

C144H151Cl3F3N29 — CID 157155786

About N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine

N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine (PubChem CID 157155786) has the molecular formula C144H151Cl3F3N29 and a molecular weight of 2451.35 g/mol. Its IUPAC name is N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine
• PubChem CID: 157155786
• Molecular Formula: C144H151Cl3F3N29
• Molecular Weight: 2451.35 g/mol
• Exact Mass: 2448.17
• IUPAC Name: N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine
• SMILES: C=CCN(c1n[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1)C1CCN(C)CC1.C=CCN(c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)C1CCN(C)CC1.CN1CCC(N(C)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1.CN1CCC(N(Cc2ccccc2)c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CN1CCC(N(Cc2ccccc2)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1.Clc1ccc(-c2[nH]nc(N3CCc4ccccc4C3)c2-c2ccncc2)cc1
• InChI: InChI=1S/C27H28ClN5.C27H28FN5.C23H26ClN5.C23H19ClN4.C23H26FN5.C21H24FN5/c2*1-32-17-13-24(14-18-32)33(19-20-5-3-2-4-6-20)27-25(21-11-15-29-16-12-21)26(30-31-27)22-7-9-23(28)10-8-22;1-3-14-29(20-10-15-28(2)16-11-20)23-21(17-8-12-25-13-9-17)22(26-27-23)18-4-6-19(24)7-5-18;24-20-7-5-18(6-8-20)22-21(17-9-12-25-13-10-17)23(27-26-22)28-14-11-16-3-1-2-4-19(16)15-28;1-3-14-29(20-10-15-28(2)16-11-20)23-21(17-8-12-25-13-9-17)22(26-27-23)18-4-6-19(24)7-5-18;1-26-13-9-18(10-14-26)27(2)21-19(15-7-11-23-12-8-15)20(24-25-21)16-3-5-17(22)6-4-16/h2*2-12,15-16,24H,13-14,17-19H2,1H3,(H,30,31);3-9,12-13,20H,1,10-11,14-16H2,2H3,(H,26,27);1-10,12-13H,11,14-15H2,(H,26,27);3-9,12-13,20H,1,10-11,14-16H2,2H3,(H,26,27);3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,24,25)
• InChIKey: ALUCWENWBQPSFM-UHFFFAOYSA-N
• XLogP: 29.68
• TPSA: 285.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2451.35
LogP ≤ 5	29.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine?

The IUPAC name of N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine (CID 157155786) is N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine.

What is the SMILES notation for N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine?

The canonical SMILES for N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine is C=CCN(c1n[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1)C1CCN(C)CC1.C=CCN(c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1)C1CCN(C)CC1.CN1CCC(N(C)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1.CN1CCC(N(Cc2ccccc2)c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.CN1CCC(N(Cc2ccccc2)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1.Clc1ccc(-c2[nH]nc(N3CCc4ccccc4C3)c2-c2ccncc2)cc1.

What is the InChIKey of N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine?

The InChIKey is ALUCWENWBQPSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5.C27H28FN5.C23H26ClN5.C23H19ClN4.C23H26FN5.C21H24FN5/c2*1-32-17-13-24(14-18-32)33(19-20-5-3-2-4-6-20)27-25(21-11-15-29-16-12-21)26(30-31-27)22-7-9-23(28)10-8-22;1-3-14-29(20-10-15-28(2)16-11-20)23-21(17-8-12-25-13-9-17)22(26-27-23)18-4-6-19(24)7-5-18;24-20-7-5-18(6-8-20)22-21(17-9-12-25-13-10-17)23(27-26-22)28-14-11-16-3-1-2-4-19(16)15-28;1-3-14-29(20-10-15-28(2)16-11-20)23-21(17-8-12-25-13-9-17)22(26-27-23)18-4-6-19(24)7-5-18;1-26-13-9-18(10-14-26)27(2)21-19(15-7-11-23-12-8-15)20(24-25-21)16-3-5-17(22)6-4-16/h2*2-12,15-16,24H,13-14,17-19H2,1H3,(H,30,31);3-9,12-13,20H,1,10-11,14-16H2,2H3,(H,26,27);1-10,12-13H,11,14-15H2,(H,26,27);3-9,12-13,20H,1,10-11,14-16H2,2H3,(H,26,27);3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,24,25).

What are the key properties of N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine?

N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine has a molecular weight of 2451.35 g/mol, XLogP of 29.68, 31 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline;N-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methyl-N-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 157155786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).