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-[(1R)-1-pyrazol-1-ylethyl]benzamide

C73H75N17O7 — CID 160692621

IUPACN-(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-[(1R)-1-pyrazol-1-ylethyl]benzamide
SMILESCOCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1cccn1
InChIInChI=1S/C19H21N5O2.2C18H18N4O2.C18H18N4O/c1-26-13-21-18-10-11-22-24(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;1-13(22-12-4-11-20-22)14-7-9-15(10-8-14)18(23)21-17-6-3-2-5-16(17)19/h2-11,21H,12-13,20H2,1H3,(H,23,25);2-11H,12,19H2,1H3,(H,20,23);2-11H,12,19H2,1H3,(H,21,23);2-13H,19H2,1H3,(H,21,23)/t;;;13-/m...1/s1
InChIKeyRPPGERMBWMNFKU-AQVMYGSESA-N
MW1302.51 g/mol
LogP11.66
Rot. Bonds21

About 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-[(1R)-1-pyrazol-1-ylethyl]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-[(1R)-1-pyrazol-1-ylethyl]benzamide (PubChem CID 160692621) has the molecular formula C73H75N17O7 and a molecular weight of 1302.51 g/mol. Its IUPAC name is 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-[(1R)-1-pyrazol-1-ylethyl]benzamide.

Molecular Properties

Compound NameN-(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-[(1R)-1-pyrazol-1-ylethyl]benzamide
PubChem CID160692621
Molecular FormulaC73H75N17O7
Molecular Weight1302.51 g/mol
Exact Mass1301.60
IUPAC NameN-(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-[(1R)-1-pyrazol-1-ylethyl]benzamide
SMILESCOCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1cccn1
InChIInChI=1S/C19H21N5O2.2C18H18N4O2.C18H18N4O/c1-26-13-21-18-10-11-22-24(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;1-13(22-12-4-11-20-22)14-7-9-15(10-8-14)18(23)21-17-6-3-2-5-16(17)19/h2-11,21H,12-13,20H2,1H3,(H,23,25);2-11H,12,19H2,1H3,(H,20,23);2-11H,12,19H2,1H3,(H,21,23);2-13H,19H2,1H3,(H,21,23)/t;;;13-/m...1/s1
InChIKeyRPPGERMBWMNFKU-AQVMYGSESA-N
XLogP11.66
TPSA331.48 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001302.51
LogP ≤ 511.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

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-[[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-[(1R)-1-pyrazol-1-ylethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[(1R)-1-pyrazol-1-ylethyl]benzamide?
The IUPAC name of 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-[(1R)-1-pyrazol-1-ylethyl]benzamide (CID 160692621) is 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-[(1R)-1-pyrazol-1-ylethyl]benzamide.
What is the SMILES notation for 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-[(1R)-1-pyrazol-1-ylethyl]benzamide?
The canonical SMILES for 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-[(1R)-1-pyrazol-1-ylethyl]benzamide is COCNc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.COc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.C[C@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1cccn1.
What is the InChIKey of 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-[(1R)-1-pyrazol-1-ylethyl]benzamide?
The InChIKey is RPPGERMBWMNFKU-AQVMYGSESA-N. The full InChI is InChI=1S/C19H21N5O2.2C18H18N4O2.C18H18N4O/c1-26-13-21-18-10-11-22-24(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;1-13(22-12-4-11-20-22)14-7-9-15(10-8-14)18(23)21-17-6-3-2-5-16(17)19/h2-11,21H,12-13,20H2,1H3,(H,23,25);2-11H,12,19H2,1H3,(H,20,23);2-11H,12,19H2,1H3,(H,21,23);2-13H,19H2,1H3,(H,21,23)/t;;;13-/m...1/s1.
What are the key properties of 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-[(1R)-1-pyrazol-1-ylethyl]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-[(1R)-1-pyrazol-1-ylethyl]benzamide has a molecular weight of 1302.51 g/mol, XLogP of 11.66, 21 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[(1R)-1-pyrazol-1-ylethyl]benzamide is sourced from PubChem (CID 160692621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).