N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine

C103H122N16O8 — CID 157435927

About N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine

N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 157435927) has the molecular formula C103H122N16O8 and a molecular weight of 1712.21 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
• PubChem CID: 157435927
• Molecular Formula: C103H122N16O8
• Molecular Weight: 1712.21 g/mol
• Exact Mass: 1710.96
• IUPAC Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
• SMILES: CCCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1.CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1.CN(C)CCCNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2.COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2CN2CCOCC2)cc1
• InChI: InChI=1S/C29H32N4O2.C26H32N4O2.C25H30N4O2.C23H28N4O2/c1-34-28-13-11-23(12-14-28)29-26(22-33(31-29)27-9-3-2-4-10-27)20-30-19-24-7-5-6-8-25(24)21-32-15-17-35-18-16-32;1-2-12-29-13-10-22(11-14-29)27-18-21-19-30(23-6-4-3-5-7-23)28-26(21)20-8-9-24-25(17-20)32-16-15-31-24;1-2-28-12-10-21(11-13-28)26-17-20-18-29(22-6-4-3-5-7-22)27-25(20)19-8-9-23-24(16-19)31-15-14-30-23;1-26(2)12-6-11-24-16-19-17-27(20-7-4-3-5-8-20)25-23(19)18-9-10-21-22(15-18)29-14-13-28-21/h2-14,22,30H,15-21H2,1H3;3-9,17,19,22,27H,2,10-16,18H2,1H3;3-9,16,18,21,26H,2,10-15,17H2,1H3;3-5,7-10,15,17,24H,6,11-14,16H2,1-2H3
• InChIKey: BRCCUXMRJVKLPQ-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 206.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.21
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?

The IUPAC name of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine (CID 157435927) is N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine.

What is the SMILES notation for N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?

The canonical SMILES for N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine is CCCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1.CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1.CN(C)CCCNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2.COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2CN2CCOCC2)cc1.

What is the InChIKey of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?

The InChIKey is BRCCUXMRJVKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2.C26H32N4O2.C25H30N4O2.C23H28N4O2/c1-34-28-13-11-23(12-14-28)29-26(22-33(31-29)27-9-3-2-4-10-27)20-30-19-24-7-5-6-8-25(24)21-32-15-17-35-18-16-32;1-2-12-29-13-10-22(11-14-29)27-18-21-19-30(23-6-4-3-5-7-23)28-26(21)20-8-9-24-25(17-20)32-16-15-31-24;1-2-28-12-10-21(11-13-28)26-17-20-18-29(22-6-4-3-5-7-22)27-25(20)19-8-9-23-24(16-19)31-15-14-30-23;1-26(2)12-6-11-24-16-19-17-27(20-7-4-3-5-8-20)25-23(19)18-9-10-21-22(15-18)29-14-13-28-21/h2-14,22,30H,15-21H2,1H3;3-9,17,19,22,27H,2,10-16,18H2,1H3;3-9,16,18,21,26H,2,10-15,17H2,1H3;3-5,7-10,15,17,24H,6,11-14,16H2,1-2H3.

What are the key properties of N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine?

N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 1712.21 g/mol, XLogP of 16.18, 30 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-propylpiperidin-4-amine;N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 157435927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).