N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide

C101H111N25O8 — CID 159137024

About N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide

N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 159137024) has the molecular formula C101H111N25O8 and a molecular weight of 1803.17 g/mol. Its IUPAC name is N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 159137024
• Molecular Formula: C101H111N25O8
• Molecular Weight: 1803.17 g/mol
• Exact Mass: 1801.90
• IUPAC Name: N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide
• SMILES: COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1
• InChI: InChI=1S/C22H23N5O.C21H22N6O.C20H23N5O2.C20H22N4O2.C18H21N5O2/c28-22(21-13-20(26-27-21)16-7-2-1-3-8-16)24-12-6-11-23-14-17-15-25-19-10-5-4-9-18(17)19;28-21(19-12-18(26-27-19)15-6-2-1-3-7-15)24-11-5-9-22-13-16-14-25-20-17(16)8-4-10-23-20;1-27-17-10-15(13-22-14-17)12-21-8-5-9-23-20(26)19-11-18(24-25-19)16-6-3-2-4-7-16;25-19-10-5-4-9-16(19)14-21-11-6-12-22-20(26)18-13-17(23-24-18)15-7-2-1-3-8-15;1-13-21-12-15(25-13)11-19-8-5-9-20-18(24)17-10-16(22-23-17)14-6-3-2-4-7-14/h1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);1-4,6-8,10,12,14,22H,5,9,11,13H2,(H,23,25)(H,24,28)(H,26,27);2-4,6-7,10-11,13-14,21H,5,8-9,12H2,1H3,(H,23,26)(H,24,25);1-5,7-10,13,21,25H,6,11-12,14H2,(H,22,26)(H,23,24);2-4,6-7,10,12,19H,5,8-9,11H2,1H3,(H,20,24)(H,22,23)
• InChIKey: KHPVAXQEKNPETN-UHFFFAOYSA-N
• XLogP: 13.70
• TPSA: 461.90 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 21
• Rotatable Bonds: 41
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.17
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide (CID 159137024) is N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide is COc1cncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cc1ncc(CNCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.O=C(NCCCNCc1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1c[nH]c2ncccc12)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)n[nH]1.

What is the InChIKey of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?

The InChIKey is KHPVAXQEKNPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.C21H22N6O.C20H23N5O2.C20H22N4O2.C18H21N5O2/c28-22(21-13-20(26-27-21)16-7-2-1-3-8-16)24-12-6-11-23-14-17-15-25-19-10-5-4-9-18(17)19;28-21(19-12-18(26-27-19)15-6-2-1-3-7-15)24-11-5-9-22-13-16-14-25-20-17(16)8-4-10-23-20;1-27-17-10-15(13-22-14-17)12-21-8-5-9-23-20(26)19-11-18(24-25-19)16-6-3-2-4-7-16;25-19-10-5-4-9-16(19)14-21-11-6-12-22-20(26)18-13-17(23-24-18)15-7-2-1-3-8-15;1-13-21-12-15(25-13)11-19-8-5-9-20-18(24)17-10-16(22-23-17)14-6-3-2-4-7-14/h1-5,7-10,13,15,23,25H,6,11-12,14H2,(H,24,28)(H,26,27);1-4,6-8,10,12,14,22H,5,9,11,13H2,(H,23,25)(H,24,28)(H,26,27);2-4,6-7,10-11,13-14,21H,5,8-9,12H2,1H3,(H,23,26)(H,24,25);1-5,7-10,13,21,25H,6,11-12,14H2,(H,22,26)(H,23,24);2-4,6-7,10,12,19H,5,8-9,11H2,1H3,(H,20,24)(H,22,23).

What are the key properties of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide?

N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 1803.17 g/mol, XLogP of 13.70, 41 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 159137024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).