N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide

C121H116F2N26O9 — CID 159446489

About N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide

N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 159446489) has the molecular formula C121H116F2N26O9 and a molecular weight of 2116.43 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide
• PubChem CID: 159446489
• Molecular Formula: C121H116F2N26O9
• Molecular Weight: 2116.43 g/mol
• Exact Mass: 2114.94
• IUPAC Name: N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide
• SMILES: COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1cccn1.Cc1cnn(Cc2ccc(C(=O)Nc3cc(F)ccc3N)cc2)c1.Nc1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)cc1
• InChI: InChI=1S/2C23H23N5O2.C22H20N4O2.C18H17FN4O.C18H18N4O.C17H15FN4O/c1-30-15-25-22-18-6-2-5-9-21(18)28(27-22)14-16-10-12-17(13-11-16)23(29)26-20-8-4-3-7-19(20)24;1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23;1-12-9-21-23(10-12)11-13-2-4-14(5-3-13)18(24)22-17-8-15(19)6-7-16(17)20;1-13-11-14(7-8-15(13)12-22-10-4-9-20-22)18(23)21-17-6-3-2-5-16(17)19;18-14-6-7-15(19)16(10-14)21-17(23)13-4-2-12(3-5-13)11-22-9-1-8-20-22/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,29);2-13,25H,14-15,24H2,1H3,(H,26,29);2-13H,14,23H2,1H3,(H,24,27);2-10H,11,20H2,1H3,(H,22,24);2-11H,12,19H2,1H3,(H,21,23);1-10H,11,19H2,(H,21,23)
• InChIKey: LSVBOCHRVIICML-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 489.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2116.43
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide?

The IUPAC name of N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide (CID 159446489) is N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide.

What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide?

The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide is COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1cccn1.Cc1cnn(Cc2ccc(C(=O)Nc3cc(F)ccc3N)cc2)c1.Nc1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)cc1.

What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide?

The InChIKey is LSVBOCHRVIICML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N5O2.C22H20N4O2.C18H17FN4O.C18H18N4O.C17H15FN4O/c1-30-15-25-22-18-6-2-5-9-21(18)28(27-22)14-16-10-12-17(13-11-16)23(29)26-20-8-4-3-7-19(20)24;1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23;1-12-9-21-23(10-12)11-13-2-4-14(5-3-13)18(24)22-17-8-15(19)6-7-16(17)20;1-13-11-14(7-8-15(13)12-22-10-4-9-20-22)18(23)21-17-6-3-2-5-16(17)19;18-14-6-7-15(19)16(10-14)21-17(23)13-4-2-12(3-5-13)11-22-9-1-8-20-22/h2-13H,14-15,24H2,1H3,(H,25,27)(H,26,29);2-13,25H,14-15,24H2,1H3,(H,26,29);2-13H,14,23H2,1H3,(H,24,27);2-10H,11,20H2,1H3,(H,22,24);2-11H,12,19H2,1H3,(H,21,23);1-10H,11,19H2,(H,21,23).

What are the key properties of N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide?

N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 2116.43 g/mol, XLogP of 20.99, 31 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-5-fluorophenyl)-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 159446489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).