2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide

C126H136N20O6 — CID 162026310

About 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 162026310) has the molecular formula C126H136N20O6 and a molecular weight of 2026.61 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
• PubChem CID: 162026310
• Molecular Formula: C126H136N20O6
• Molecular Weight: 2026.61 g/mol
• Exact Mass: 2025.10
• IUPAC Name: 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
• SMILES: CCc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3O)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3OCc3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1
• InChI: InChI=1S/C36H37N5O2.C31H35N5O.C30H33N5O.C29H31N5O2/c1-25-19-33(41(40-25)31-14-7-11-28(20-31)22-37)36(42)39-30-13-8-12-29(21-30)35(38-23-26-17-18-26)32-15-5-6-16-34(32)43-24-27-9-3-2-4-10-27;1-3-22-7-4-9-25(16-22)30(33-20-23-13-14-23)26-10-6-11-27(18-26)34-31(37)29-15-21(2)35-36(29)28-12-5-8-24(17-28)19-32;1-20-6-3-8-24(14-20)29(32-19-22-12-13-22)25-9-5-10-26(17-25)33-30(36)28-15-21(2)34-35(28)27-11-4-7-23(16-27)18-31;1-19-14-26(34(33-19)24-9-4-6-21(15-24)17-30)29(36)32-23-8-5-7-22(16-23)28(31-18-20-12-13-20)25-10-2-3-11-27(25)35/h2-16,19-21,26,35,38H,17-18,22-24,37H2,1H3,(H,39,42);4-12,15-18,23,30,33H,3,13-14,19-20,32H2,1-2H3,(H,34,37);3-11,14-17,22,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);2-11,14-16,20,28,31,35H,12-13,17-18,30H2,1H3,(H,32,36)
• InChIKey: YVKNJEQZQILPMV-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 369.34 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2026.61
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?

The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 162026310) is 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide.

What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?

The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide is CCc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3O)c2)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccccc3OCc3ccccc3)c2)n(-c2cccc(CN)c2)n1.Cc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.

What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?

The InChIKey is YVKNJEQZQILPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O2.C31H35N5O.C30H33N5O.C29H31N5O2/c1-25-19-33(41(40-25)31-14-7-11-28(20-31)22-37)36(42)39-30-13-8-12-29(21-30)35(38-23-26-17-18-26)32-15-5-6-16-34(32)43-24-27-9-3-2-4-10-27;1-3-22-7-4-9-25(16-22)30(33-20-23-13-14-23)26-10-6-11-27(18-26)34-31(37)29-15-21(2)35-36(29)28-12-5-8-24(17-28)19-32;1-20-6-3-8-24(14-20)29(32-19-22-12-13-22)25-9-5-10-26(17-25)33-30(36)28-15-21(2)34-35(28)27-11-4-7-23(16-27)18-31;1-19-14-26(34(33-19)24-9-4-6-21(15-24)17-30)29(36)32-23-8-5-7-22(16-23)28(31-18-20-12-13-20)25-10-2-3-11-27(25)35/h2-16,19-21,26,35,38H,17-18,22-24,37H2,1H3,(H,39,42);4-12,15-18,23,30,33H,3,13-14,19-20,32H2,1-2H3,(H,34,37);3-11,14-17,22,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);2-11,14-16,20,28,31,35H,12-13,17-18,30H2,1H3,(H,32,36).

What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2026.61 g/mol, XLogP of 22.08, 40 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-ethylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-hydroxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162026310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).