N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide

C96H97N23O9 — CID 160658069

IUPACN-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide
SMILESCOCNc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H19N5O.2C19H21N5O2.2C18H18N4O2/c23-18-5-1-2-6-19(18)25-22(28)17-10-8-16(9-11-17)15-27-14-12-21(26-27)20-7-3-4-13-24-20;1-26-13-21-18-10-11-24(23-18)12-14-6-8-15(9-7-14)19(25)22-17-5-3-2-4-16(17)20;1-26-13-21-18-10-11-22-24(18)12-14-6-8-15(9-7-14)19(25)23-17-5-3-2-4-16(17)20;1-24-17-10-11-22(21-17)12-13-6-8-14(9-7-13)18(23)20-16-5-3-2-4-15(16)19;1-24-17-10-11-20-22(17)12-13-6-8-14(9-7-13)18(23)21-16-5-3-2-4-15(16)19/h1-14H,15,23H2,(H,25,28);2-11H,12-13,20H2,1H3,(H,21,23)(H,22,25);2-11,21H,12-13,20H2,1H3,(H,23,25);2-11H,12,19H2,1H3,(H,20,23);2-11H,12,19H2,1H3,(H,21,23)
InChIKeyRLHRJKHFQDVLIR-UHFFFAOYSA-N
MW1716.98 g/mol
LogP14.94
Rot. Bonds29

About N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide

N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide (PubChem CID 160658069) has the molecular formula C96H97N23O9 and a molecular weight of 1716.98 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide
PubChem CID160658069
Molecular FormulaC96H97N23O9
Molecular Weight1716.98 g/mol
Exact Mass1715.78
IUPAC NameN-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide
SMILESCOCNc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H19N5O.2C19H21N5O2.2C18H18N4O2/c23-18-5-1-2-6-19(18)25-22(28)17-10-8-16(9-11-17)15-27-14-12-21(26-27)20-7-3-4-13-24-20;1-26-13-21-18-10-11-24(23-18)12-14-6-8-15(9-7-14)19(25)22-17-5-3-2-4-16(17)20;1-26-13-21-18-10-11-22-24(18)12-14-6-8-15(9-7-14)19(25)23-17-5-3-2-4-16(17)20;1-24-17-10-11-22(21-17)12-13-6-8-14(9-7-13)18(23)20-16-5-3-2-4-15(16)19;1-24-17-10-11-20-22(17)12-13-6-8-14(9-7-13)18(23)21-16-5-3-2-4-15(16)19/h1-14H,15,23H2,(H,25,28);2-11H,12-13,20H2,1H3,(H,21,23)(H,22,25);2-11,21H,12-13,20H2,1H3,(H,23,25);2-11H,12,19H2,1H3,(H,20,23);2-11H,12,19H2,1H3,(H,21,23)
InChIKeyRLHRJKHFQDVLIR-UHFFFAOYSA-N
XLogP14.94
TPSA438.57 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001716.98
LogP ≤ 514.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

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-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide (CID 160658069) is N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide is COCNc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2ccc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide?
The InChIKey is RLHRJKHFQDVLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.2C19H21N5O2.2C18H18N4O2/c23-18-5-1-2-6-19(18)25-22(28)17-10-8-16(9-11-17)15-27-14-12-21(26-27)20-7-3-4-13-24-20;1-26-13-21-18-10-11-24(23-18)12-14-6-8-15(9-7-14)19(25)22-17-5-3-2-4-16(17)20;1-26-13-21-18-10-11-22-24(18)12-14-6-8-15(9-7-14)19(25)23-17-5-3-2-4-16(17)20;1-24-17-10-11-22(21-17)12-13-6-8-14(9-7-13)18(23)20-16-5-3-2-4-15(16)19;1-24-17-10-11-20-22(17)12-13-6-8-14(9-7-13)18(23)21-16-5-3-2-4-15(16)19/h1-14H,15,23H2,(H,25,28);2-11H,12-13,20H2,1H3,(H,21,23)(H,22,25);2-11,21H,12-13,20H2,1H3,(H,23,25);2-11H,12,19H2,1H3,(H,20,23);2-11H,12,19H2,1H3,(H,21,23).
What are the key properties of N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide has a molecular weight of 1716.98 g/mol, XLogP of 14.94, 29 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[3-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[5-(methoxymethylamino)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-methoxypyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 160658069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).