N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane

C99H111Cl3FN19 — CID 157246273

About N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane

N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane (PubChem CID 157246273) has the molecular formula C99H111Cl3FN19 and a molecular weight of 1692.47 g/mol. Its IUPAC name is N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane.

Molecular Properties

• Compound Name: N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane
• PubChem CID: 157246273
• Molecular Formula: C99H111Cl3FN19
• Molecular Weight: 1692.47 g/mol
• Exact Mass: 1689.83
• IUPAC Name: N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane
• SMILES: C.C.C.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(Cc2ccccc2)c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.Clc1ccc(-c2[nH]nc(N3CCc4ccccc4C3)c2-c2ccncc2)cc1
• InChI: InChI=1S/C27H28ClN5.C23H26ClN5.C23H19ClN4.C23H26FN5.3CH4/c1-32-17-13-24(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;;;/h2-12,15-16,24H,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*1H4
• InChIKey: AVUPMALPLXEIAR-UHFFFAOYSA-N
• XLogP: 22.40
• TPSA: 188.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1692.47
LogP ≤ 5	22.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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;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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane?

The IUPAC name of N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane (CID 157246273) is N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane.

What is the SMILES notation for N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane?

The canonical SMILES for N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane is C.C.C.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(Cc2ccccc2)c2n[nH]c(-c3ccc(Cl)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;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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane?

The InChIKey is AVUPMALPLXEIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5.C23H26ClN5.C23H19ClN4.C23H26FN5.3CH4/c1-32-17-13-24(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;;;/h2-12,15-16,24H,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*1H4.

What are the key properties of N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane?

N-benzyl-N-[5-(4-chlorophenyl)-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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane has a molecular weight of 1692.47 g/mol, XLogP of 22.40, 21 rotatable bonds, 4 hydrogen bond donors, and 15 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;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]-1-methyl-N-prop-2-enylpiperidin-4-amine;methane is sourced from PubChem (CID 157246273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).