N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide

C143H134FN29O10 — CID 157162854

IUPACN-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide
SMILESCCc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1cccn1.Nc1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccco3)cn2)cc1
InChIInChI=1S/C23H23N5O2.C23H20N4O.C22H20N4O2.C21H18N4O2.C19H20N4O.C18H18N4O.C17H15FN4O/c1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;24-21-8-4-5-9-22(21)26-23(28)19-12-10-17(11-13-19)15-27-16-20(14-25-27)18-6-2-1-3-7-18;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;22-18-4-1-2-5-19(18)24-21(26)16-9-7-15(8-10-16)13-25-14-17(12-23-25)20-6-3-11-27-20;1-2-16-11-12-23(22-16)13-14-7-9-15(10-8-14)19(24)21-18-6-4-3-5-17(18)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/h2-13,25H,14-15,24H2,1H3,(H,26,29);1-14,16H,15,24H2,(H,26,28);2-13H,14,23H2,1H3,(H,24,27);1-12,14H,13,22H2,(H,24,26);3-12H,2,13,20H2,1H3,(H,21,24);2-11H,12,19H2,1H3,(H,21,23);1-10H,11,19H2,(H,21,23)
InChIKeyAMOKJJKHBQYKBZ-UHFFFAOYSA-N
MW2437.84 g/mol
LogP25.63
Rot. Bonds35

About N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide

N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide (PubChem CID 157162854) has the molecular formula C143H134FN29O10 and a molecular weight of 2437.84 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide
PubChem CID157162854
Molecular FormulaC143H134FN29O10
Molecular Weight2437.84 g/mol
Exact Mass2436.09
IUPAC NameN-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide
SMILESCCc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1cccn1.Nc1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccco3)cn2)cc1
InChIInChI=1S/C23H23N5O2.C23H20N4O.C22H20N4O2.C21H18N4O2.C19H20N4O.C18H18N4O.C17H15FN4O/c1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;24-21-8-4-5-9-22(21)26-23(28)19-12-10-17(11-13-19)15-27-16-20(14-25-27)18-6-2-1-3-7-18;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;22-18-4-1-2-5-19(18)24-21(26)16-9-7-15(8-10-16)13-25-14-17(12-23-25)20-6-3-11-27-20;1-2-16-11-12-23(22-16)13-14-7-9-15(10-8-14)19(24)21-18-6-4-3-5-17(18)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/h2-13,25H,14-15,24H2,1H3,(H,26,29);1-14,16H,15,24H2,(H,26,28);2-13H,14,23H2,1H3,(H,24,27);1-12,14H,13,22H2,(H,24,26);3-12H,2,13,20H2,1H3,(H,21,24);2-11H,12,19H2,1H3,(H,21,23);1-10H,11,19H2,(H,21,23)
InChIKeyAMOKJJKHBQYKBZ-UHFFFAOYSA-N
XLogP25.63
TPSA554.21 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms183
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002437.84
LogP ≤ 525.63
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide (CID 157162854) is N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide is CCc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1cccn1.Nc1ccc(F)cc1NC(=O)c1ccc(Cn2cccn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccco3)cn2)cc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
The InChIKey is AMOKJJKHBQYKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.C23H20N4O.C22H20N4O2.C21H18N4O2.C19H20N4O.C18H18N4O.C17H15FN4O/c1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;24-21-8-4-5-9-22(21)26-23(28)19-12-10-17(11-13-19)15-27-16-20(14-25-27)18-6-2-1-3-7-18;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;22-18-4-1-2-5-19(18)24-21(26)16-9-7-15(8-10-16)13-25-14-17(12-23-25)20-6-3-11-27-20;1-2-16-11-12-23(22-16)13-14-7-9-15(10-8-14)19(24)21-18-6-4-3-5-17(18)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/h2-13,25H,14-15,24H2,1H3,(H,26,29);1-14,16H,15,24H2,(H,26,28);2-13H,14,23H2,1H3,(H,24,27);1-12,14H,13,22H2,(H,24,26);3-12H,2,13,20H2,1H3,(H,21,24);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-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide has a molecular weight of 2437.84 g/mol, XLogP of 25.63, 35 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-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-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 157162854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).