2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide

C91H94FN15O6 — CID 158793315

IUPAC2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc2ccccc2c1C(NCC1CC1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1.Cc1cc(C(=O)Nc2cc(C(OCC3CC3)c3cccnc3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(O)(CCC3CC3)c3ccccn3)c2)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C34H35N5O2.C29H31N5O2.C28H28FN5O2/c1-22-17-30(39(38-22)28-11-5-7-24(18-28)20-35)34(40)37-27-10-6-9-26(19-27)33(36-21-23-13-14-23)32-29-12-4-3-8-25(29)15-16-31(32)41-2;1-20-16-26(34(33-20)25-9-4-6-22(17-25)19-30)28(35)32-24-8-5-7-23(18-24)29(36,14-13-21-11-12-21)27-10-2-3-15-31-27;1-18-12-26(34(33-18)23-6-2-4-20(13-23)15-30)28(35)32-25-14-21(9-10-24(25)29)27(36-17-19-7-8-19)22-5-3-11-31-16-22/h3-12,15-19,23,33,36H,13-14,20-21,35H2,1-2H3,(H,37,40);2-10,15-18,21,36H,11-14,19,30H2,1H3,(H,32,35);2-6,9-14,16,19,27H,7-8,15,17,30H2,1H3,(H,32,35)
InChIKeyISNZAPVYDWVJEQ-UHFFFAOYSA-N
MW1512.85 g/mol
LogP15.80
Rot. Bonds28

About 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide

2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 158793315) has the molecular formula C91H94FN15O6 and a molecular weight of 1512.85 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID158793315
Molecular FormulaC91H94FN15O6
Molecular Weight1512.85 g/mol
Exact Mass1511.75
IUPAC Name2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc2ccccc2c1C(NCC1CC1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1.Cc1cc(C(=O)Nc2cc(C(OCC3CC3)c3cccnc3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(O)(CCC3CC3)c3ccccn3)c2)n(-c2cccc(CN)c2)n1
InChIInChI=1S/C34H35N5O2.C29H31N5O2.C28H28FN5O2/c1-22-17-30(39(38-22)28-11-5-7-24(18-28)20-35)34(40)37-27-10-6-9-26(19-27)33(36-21-23-13-14-23)32-29-12-4-3-8-25(29)15-16-31(32)41-2;1-20-16-26(34(33-20)25-9-4-6-22(17-25)19-30)28(35)32-24-8-5-7-23(18-24)29(36,14-13-21-11-12-21)27-10-2-3-15-31-27;1-18-12-26(34(33-18)23-6-2-4-20(13-23)15-30)28(35)32-25-14-21(9-10-24(25)29)27(36-17-19-7-8-19)22-5-3-11-31-16-22/h3-12,15-19,23,33,36H,13-14,20-21,35H2,1-2H3,(H,37,40);2-10,15-18,21,36H,11-14,19,30H2,1H3,(H,32,35);2-6,9-14,16,19,27H,7-8,15,17,30H2,1H3,(H,32,35)
InChIKeyISNZAPVYDWVJEQ-UHFFFAOYSA-N
XLogP15.80
TPSA295.32 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001512.85
LogP ≤ 515.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[3-(aminomethyl)phenyl]-N-[5-[[3-(aminomethyl)phenyl]-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-(4-cyclopropyl-1-hydroxy-2-pyridin-3-ylbutan-2-yl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 159347856
1-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;dihydrochloride
CID 126665613
1-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665874
2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(phenyl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[2-fluoro-5-[hydroxy(phenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 159271303
2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy(phenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681408
2-[3-(aminomethyl)phenyl]-N-[3-[(3-aminophenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[2-(cyclopropylamino)-1-hydroxy-1-phenylethyl]phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 157115394
2-[3-(aminomethyl)phenyl]-N-[3-[2-(cyclopropylamino)-1-hydroxy-1-phenylethyl]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-[5-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[(cyclopropylmethylamino)-(1,3-thiazol-2-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 161315731
2-[3-(aminomethyl)phenyl]-N-[3-[(10-chloroanthracen-9-yl)-(cyclopropylmethylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681647
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(4-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681418
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681410
2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 126681626

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 158793315) is 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide is COc1ccc2ccccc2c1C(NCC1CC1)c1cccc(NC(=O)c2cc(C)nn2-c2cccc(CN)c2)c1.Cc1cc(C(=O)Nc2cc(C(OCC3CC3)c3cccnc3)ccc2F)n(-c2cccc(CN)c2)n1.Cc1cc(C(=O)Nc2cccc(C(O)(CCC3CC3)c3ccccn3)c2)n(-c2cccc(CN)c2)n1.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is ISNZAPVYDWVJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O2.C29H31N5O2.C28H28FN5O2/c1-22-17-30(39(38-22)28-11-5-7-24(18-28)20-35)34(40)37-27-10-6-9-26(19-27)33(36-21-23-13-14-23)32-29-12-4-3-8-25(29)15-16-31(32)41-2;1-20-16-26(34(33-20)25-9-4-6-22(17-25)19-30)28(35)32-24-8-5-7-23(18-24)29(36,14-13-21-11-12-21)27-10-2-3-15-31-27;1-18-12-26(34(33-18)23-6-2-4-20(13-23)15-30)28(35)32-25-14-21(9-10-24(25)29)27(36-17-19-7-8-19)22-5-3-11-31-16-22/h3-12,15-19,23,33,36H,13-14,20-21,35H2,1-2H3,(H,37,40);2-10,15-18,21,36H,11-14,19,30H2,1H3,(H,32,35);2-6,9-14,16,19,27H,7-8,15,17,30H2,1H3,(H,32,35).
What are the key properties of 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide?
2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 1512.85 g/mol, XLogP of 15.80, 28 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-N-[3-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)phenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[5-[cyclopropylmethoxy(pyridin-3-yl)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 158793315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).