N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane

C118H152Cl3F2N25O — CID 158692702

About N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane

N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane (PubChem CID 158692702) has the molecular formula C118H152Cl3F2N25O and a molecular weight of 2081.04 g/mol. Its IUPAC name is N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane.

Molecular Properties

• Compound Name: N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane
• PubChem CID: 158692702
• Molecular Formula: C118H152Cl3F2N25O
• Molecular Weight: 2081.04 g/mol
• Exact Mass: 2078.16
• IUPAC Name: N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane
• SMILES: C.C.C.C.C.CC(=O)N1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1.CC(C)N1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1.CCCN1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1.CN1CCC(N(C)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1.CN1CCC(N(Cc2ccccc2)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1
• InChI: InChI=1S/C27H28FN5.2C22H28ClN5.C21H24ClN5O.C21H24FN5.5CH4/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;1-15(2)28-13-9-19(10-14-28)25-22-20(16-7-11-24-12-8-16)21(26-27-22)17-3-5-18(23)6-4-17;1-2-13-28-14-9-19(10-15-28)25-22-20(16-7-11-24-12-8-16)21(26-27-22)17-3-5-18(23)6-4-17;1-14(28)27-12-8-18(9-13-27)24-21-19(15-6-10-23-11-7-15)20(25-26-21)16-2-4-17(22)5-3-16;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;;;;;/h2-12,15-16,24H,13-14,17-19H2,1H3,(H,30,31);3-7,11,15,19H,8-10,12-14H2,1-2H3,(H2,25,26,27);3-7,11,19H,2,8-10,12-15H2,1H3,(H2,25,26,27);2-6,10,18H,7-9,11-13H2,1H3,(H2,24,25,26);3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,24,25);5*1H4
• InChIKey: IGOAUENHVAQYFK-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 282.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2081.04
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane?

The IUPAC name of N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane (CID 158692702) is N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane.

What is the SMILES notation for N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane?

The canonical SMILES for N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane is C.C.C.C.C.CC(=O)N1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1.CC(C)N1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1.CCCN1CCC(Nc2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CC1.CN1CCC(N(C)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1.CN1CCC(N(Cc2ccccc2)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1.

What is the InChIKey of N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane?

The InChIKey is IGOAUENHVAQYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5.2C22H28ClN5.C21H24ClN5O.C21H24FN5.5CH4/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;1-15(2)28-13-9-19(10-14-28)25-22-20(16-7-11-24-12-8-16)21(26-27-22)17-3-5-18(23)6-4-17;1-2-13-28-14-9-19(10-15-28)25-22-20(16-7-11-24-12-8-16)21(26-27-22)17-3-5-18(23)6-4-17;1-14(28)27-12-8-18(9-13-27)24-21-19(15-6-10-23-11-7-15)20(25-26-21)16-2-4-17(22)5-3-16;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;;;;;/h2-12,15-16,24H,13-14,17-19H2,1H3,(H,30,31);3-7,11,15,19H,8-10,12-14H2,1-2H3,(H2,25,26,27);3-7,11,19H,2,8-10,12-15H2,1H3,(H2,25,26,27);2-6,10,18H,7-9,11-13H2,1H3,(H2,24,25,26);3-8,11-12,18H,9-10,13-14H2,1-2H3,(H,24,25);5*1H4.

What are the key properties of N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane?

N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane has a molecular weight of 2081.04 g/mol, XLogP of 26.13, 25 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperidin-4-amine;1-[4-[[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]amino]piperidin-1-yl]ethanone;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine;N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propylpiperidin-4-amine;N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-N,1-dimethylpiperidin-4-amine;methane is sourced from PubChem (CID 158692702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).