N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine

C108H154N16O5 — CID 159829344

About N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine

N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 159829344) has the molecular formula C108H154N16O5 and a molecular weight of 1756.53 g/mol. Its IUPAC name is N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

• Compound Name: N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine
• PubChem CID: 159829344
• Molecular Formula: C108H154N16O5
• Molecular Weight: 1756.53 g/mol
• Exact Mass: 1755.23
• IUPAC Name: N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine
• SMILES: CCCCN(C)Cc1[nH]ncc1-c1cc(C(C)C)cc(C(C)C)c1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.CCCCN(C)Cc1cn(C)nc1-c1ccc(OC(C)C)cc1.CCCCN(C)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC(C)C)cc1.CCCCN(C)Cc1cnn(C)c1-c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C25H33N3O.C24H30N4O2.C21H33N3.2C19H29N3O/c1-5-6-16-27(4)18-23-19-28(17-21-10-8-7-9-11-21)26-25(23)22-12-14-24(15-13-22)29-20(2)3;1-5-6-14-28(4)17-22-21(16-25-26-22)18-12-13-23(20(15-18)24(29)27(2)3)30-19-10-8-7-9-11-19;1-7-8-9-24(6)14-21-20(13-22-23-21)19-11-17(15(2)3)10-18(12-19)16(4)5;1-6-7-12-21(4)13-17-14-22(5)20-19(17)16-8-10-18(11-9-16)23-15(2)3;1-6-7-12-21(4)14-17-13-20-22(5)19(17)16-8-10-18(11-9-16)23-15(2)3/h7-15,19-20H,5-6,16-18H2,1-4H3;7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);10-13,15-16H,7-9,14H2,1-6H3,(H,22,23);8-11,14-15H,6-7,12-13H2,1-5H3;8-11,13,15H,6-7,12,14H2,1-5H3
• InChIKey: NNGJRCNNHGPKHZ-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 184.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 43
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.53
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine?

The IUPAC name of N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine (CID 159829344) is N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine.

What is the SMILES notation for N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine?

The canonical SMILES for N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1[nH]ncc1-c1cc(C(C)C)cc(C(C)C)c1.CCCCN(C)Cc1[nH]ncc1-c1ccc(Oc2ccccc2)c(C(=O)N(C)C)c1.CCCCN(C)Cc1cn(C)nc1-c1ccc(OC(C)C)cc1.CCCCN(C)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC(C)C)cc1.CCCCN(C)Cc1cnn(C)c1-c1ccc(OC(C)C)cc1.

What is the InChIKey of N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine?

The InChIKey is NNGJRCNNHGPKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O.C24H30N4O2.C21H33N3.2C19H29N3O/c1-5-6-16-27(4)18-23-19-28(17-21-10-8-7-9-11-21)26-25(23)22-12-14-24(15-13-22)29-20(2)3;1-5-6-14-28(4)17-22-21(16-25-26-22)18-12-13-23(20(15-18)24(29)27(2)3)30-19-10-8-7-9-11-19;1-7-8-9-24(6)14-21-20(13-22-23-21)19-11-17(15(2)3)10-18(12-19)16(4)5;1-6-7-12-21(4)13-17-14-22(5)20-19(17)16-8-10-18(11-9-16)23-15(2)3;1-6-7-12-21(4)14-17-13-20-22(5)19(17)16-8-10-18(11-9-16)23-15(2)3/h7-15,19-20H,5-6,16-18H2,1-4H3;7-13,15-16H,5-6,14,17H2,1-4H3,(H,25,26);10-13,15-16H,7-9,14H2,1-6H3,(H,22,23);8-11,14-15H,6-7,12-13H2,1-5H3;8-11,13,15H,6-7,12,14H2,1-5H3.

What are the key properties of N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine?

N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1756.53 g/mol, XLogP of 24.19, 43 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-benzyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;5-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-N,N-dimethyl-2-phenoxybenzamide;N-[[4-[3,5-di(propan-2-yl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[1-methyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine;N-methyl-N-[[1-methyl-5-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 159829344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).