2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

C123H128F2N18O9 — CID 161426429

About 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 161426429) has the molecular formula C123H128F2N18O9 and a molecular weight of 2040.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
• PubChem CID: 161426429
• Molecular Formula: C123H128F2N18O9
• Molecular Weight: 2040.49 g/mol
• Exact Mass: 2039.01
• IUPAC Name: 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
• SMILES: COc1ccc2ccccc2c1C(OCC1CC1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1.Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3cc(O)ccc3O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1ccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)cc1.Cc1ccc(C(OCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)cc1
• InChI: InChI=1S/C34H34N4O3.C30H32FN5O.C30H32N4O2.C29H30FN5O3/c1-22-17-30(38(37-22)28-11-5-7-24(18-28)20-35)34(39)36-27-10-6-9-26(19-27)33(41-21-23-13-14-23)32-29-12-4-3-8-25(29)15-16-31(32)40-2;1-19-6-10-23(11-7-19)29(33-18-21-8-9-21)24-12-13-26(31)27(16-24)34-30(37)28-14-20(2)35-36(28)25-5-3-4-22(15-25)17-32;1-20-9-13-24(14-10-20)29(36-19-22-11-12-22)25-6-4-7-26(17-25)32-30(35)28-15-21(2)33-34(28)27-8-3-5-23(16-27)18-31;1-17-11-26(35(34-17)21-4-2-3-19(12-21)15-31)29(38)33-25-13-20(7-9-24(25)30)28(32-16-18-5-6-18)23-14-22(36)8-10-27(23)37/h3-12,15-19,23,33H,13-14,20-21,35H2,1-2H3,(H,36,39);3-7,10-16,21,29,33H,8-9,17-18,32H2,1-2H3,(H,34,37);3-10,13-17,22,29H,11-12,18-19,31H2,1-2H3,(H,32,35);2-4,7-14,18,28,32,36-37H,5-6,15-16,31H2,1H3,(H,33,38)
• InChIKey: VXKMPZJYPXJDBM-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 383.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2040.49
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?

The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide (CID 161426429) is 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide.

What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?

The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is COc1ccc2ccccc2c1C(OCC1CC1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1.Cc1cc(C(=O)Nc2cc(C(NCC3CC3)c3cc(O)ccc3O)ccc2F)n(-c2cccc(CN)c2)n1.Cc1ccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)cc1.Cc1ccc(C(OCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)cc1.

What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?

The InChIKey is VXKMPZJYPXJDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O3.C30H32FN5O.C30H32N4O2.C29H30FN5O3/c1-22-17-30(38(37-22)28-11-5-7-24(18-28)20-35)34(39)36-27-10-6-9-26(19-27)33(41-21-23-13-14-23)32-29-12-4-3-8-25(29)15-16-31(32)40-2;1-19-6-10-23(11-7-19)29(33-18-21-8-9-21)24-12-13-26(31)27(16-24)34-30(37)28-14-20(2)35-36(28)25-5-3-4-22(15-25)17-32;1-20-9-13-24(14-10-20)29(36-19-22-11-12-22)25-6-4-7-26(17-25)32-30(35)28-15-21(2)33-34(28)27-8-3-5-23(16-27)18-31;1-17-11-26(35(34-17)21-4-2-3-19(12-21)15-31)29(38)33-25-13-20(7-9-24(25)30)28(32-16-18-5-6-18)23-14-22(36)8-10-27(23)37/h3-12,15-19,23,33H,13-14,20-21,35H2,1-2H3,(H,36,39);3-7,10-16,21,29,33H,8-9,17-18,32H2,1-2H3,(H,34,37);3-10,13-17,22,29H,11-12,18-19,31H2,1-2H3,(H,32,35);2-4,7-14,18,28,32,36-37H,5-6,15-16,31H2,1H3,(H,33,38).

What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide?

2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2040.49 g/mol, XLogP of 22.24, 37 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(2,5-dihydroxyphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 161426429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).