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

C132H140N20O7 — CID 159469101

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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 159469101) has the molecular formula C132H140N20O7 and a molecular weight of 2118.70 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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
• PubChem CID: 159469101
• Molecular Formula: C132H140N20O7
• Molecular Weight: 2118.70 g/mol
• Exact Mass: 2117.12
• 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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)c3cccc(OCc4ccccc4)c3)c2)n(-c2cccc(CN)c2)n1.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
• InChI: InChI=1S/2C36H37N5O2.C31H35N5O.C29H31N5O2/c1-25-18-34(41(40-25)32-14-5-10-28(19-32)22-37)36(42)39-31-13-6-11-29(20-31)35(38-23-26-16-17-26)30-12-7-15-33(21-30)43-24-27-8-3-2-4-9-27;1-25-19-33(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;1-19-14-26(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/h2-15,18-21,26,35,38H,16-17,22-24,37H2,1H3,(H,39,42);2-16,19-21,26,35,38H,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);2-11,14-16,20,28,31,35H,12-13,17-18,30H2,1H3,(H,32,36)
• InChIKey: LVOLOLPJZJRZFU-UHFFFAOYSA-N
• XLogP: 23.35
• TPSA: 378.57 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 43
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.70
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 159469101) 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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)c3cccc(OCc4ccccc4)c3)c2)n(-c2cccc(CN)c2)n1.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.

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

The InChIKey is LVOLOLPJZJRZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H37N5O2.C31H35N5O.C29H31N5O2/c1-25-18-34(41(40-25)32-14-5-10-28(19-32)22-37)36(42)39-31-13-6-11-29(20-31)35(38-23-26-16-17-26)30-12-7-15-33(21-30)43-24-27-8-3-2-4-9-27;1-25-19-33(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;1-19-14-26(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/h2-15,18-21,26,35,38H,16-17,22-24,37H2,1H3,(H,39,42);2-16,19-21,26,35,38H,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);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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2118.70 g/mol, XLogP of 23.35, 43 rotatable bonds, 13 hydrogen bond donors, and 23 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)-(2-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 159469101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).