1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide

C125H118N24O9 — CID 159319543

IUPAC1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide
SMILESCCc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.CCc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1ncc(-c2ccccc2)c1C.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccco3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C25H24N4O.C23H20N4O.C21H18N4O2.2C19H20N4O.C18H16N4O3/c1-17-14-20(25(30)28-24-11-7-6-10-23(24)26)12-13-21(17)16-29-18(2)22(15-27-29)19-8-4-3-5-9-19;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;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;1-2-16-11-12-21-23(16)13-14-7-9-15(10-8-14)19(24)22-18-6-4-3-5-17(18)20;19-15-3-1-2-4-16(15)21-17(23)13-7-5-12(6-8-13)10-22-11-14(9-20-22)18(24)25/h3-15H,16,26H2,1-2H3,(H,28,30);1-14,16H,15,24H2,(H,26,28);1-12,14H,13,22H2,(H,24,26);3-12H,2,13,20H2,1H3,(H,21,24);3-12H,2,13,20H2,1H3,(H,22,24);1-9,11H,10,19H2,(H,21,23)(H,24,25)
InChIKeyLDOQRKRVVHBHJE-UHFFFAOYSA-N
MW2100.48 g/mol
LogP22.63
Rot. Bonds30

About 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide

1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide (PubChem CID 159319543) has the molecular formula C125H118N24O9 and a molecular weight of 2100.48 g/mol. Its IUPAC name is 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide
PubChem CID159319543
Molecular FormulaC125H118N24O9
Molecular Weight2100.48 g/mol
Exact Mass2098.95
IUPAC Name1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide
SMILESCCc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.CCc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1ncc(-c2ccccc2)c1C.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccco3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C25H24N4O.C23H20N4O.C21H18N4O2.2C19H20N4O.C18H16N4O3/c1-17-14-20(25(30)28-24-11-7-6-10-23(24)26)12-13-21(17)16-29-18(2)22(15-27-29)19-8-4-3-5-9-19;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;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;1-2-16-11-12-21-23(16)13-14-7-9-15(10-8-14)19(24)22-18-6-4-3-5-17(18)20;19-15-3-1-2-4-16(15)21-17(23)13-7-5-12(6-8-13)10-22-11-14(9-20-22)18(24)25/h3-15H,16,26H2,1-2H3,(H,28,30);1-14,16H,15,24H2,(H,26,28);1-12,14H,13,22H2,(H,24,26);3-12H,2,13,20H2,1H3,(H,21,24);3-12H,2,13,20H2,1H3,(H,22,24);1-9,11H,10,19H2,(H,21,23)(H,24,25)
InChIKeyLDOQRKRVVHBHJE-UHFFFAOYSA-N
XLogP22.63
TPSA488.08 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002100.48
LogP ≤ 522.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]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 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide (CID 159319543) is 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide is CCc1ccn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)n1.CCc1ccnn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Cc1cc(C(=O)Nc2ccccc2N)ccc1Cn1ncc(-c2ccccc2)c1C.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccco3)cn2)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2cc(C(=O)O)cn2)cc1.
What is the InChIKey of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
The InChIKey is LDOQRKRVVHBHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O.C23H20N4O.C21H18N4O2.2C19H20N4O.C18H16N4O3/c1-17-14-20(25(30)28-24-11-7-6-10-23(24)26)12-13-21(17)16-29-18(2)22(15-27-29)19-8-4-3-5-9-19;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;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;1-2-16-11-12-21-23(16)13-14-7-9-15(10-8-14)19(24)22-18-6-4-3-5-17(18)20;19-15-3-1-2-4-16(15)21-17(23)13-7-5-12(6-8-13)10-22-11-14(9-20-22)18(24)25/h3-15H,16,26H2,1-2H3,(H,28,30);1-14,16H,15,24H2,(H,26,28);1-12,14H,13,22H2,(H,24,26);3-12H,2,13,20H2,1H3,(H,21,24);3-12H,2,13,20H2,1H3,(H,22,24);1-9,11H,10,19H2,(H,21,23)(H,24,25).
What are the key properties of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide?
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide has a molecular weight of 2100.48 g/mol, XLogP of 22.63, 30 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]pyrazole-4-carboxylic acid;N-(2-aminophenyl)-4-[(3-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-ethylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[4-(furan-2-yl)pyrazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-3-methyl-4-[(5-methyl-4-phenylpyrazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(4-phenylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 159319543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).