N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide

C61H56N12O5 — CID 87540044

About N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide

N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide (PubChem CID 87540044) has the molecular formula C61H56N12O5 and a molecular weight of 1037.20 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide
• PubChem CID: 87540044
• Molecular Formula: C61H56N12O5
• Molecular Weight: 1037.20 g/mol
• Exact Mass: 1036.45
• IUPAC Name: N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide
• SMILES: C[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1cccn1.Cc1cnn(Cc2ccc(C(=O)Nc3cc(-c4ccco4)ccc3N)cc2)c1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cccn2)cc1
• InChI: InChI=1S/C22H20N4O2.C21H18N4O2.C18H18N4O/c1-15-12-24-26(13-15)14-16-4-6-17(7-5-16)22(27)25-20-11-18(8-9-19(20)23)21-3-2-10-28-21;22-18-9-8-17(20-3-1-12-27-20)13-19(18)24-21(26)16-6-4-15(5-7-16)14-25-11-2-10-23-25;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/h2-13H,14,23H2,1H3,(H,25,27);1-13H,14,22H2,(H,24,26);2-13H,19H2,1H3,(H,21,23)/t;;13-/m..0/s1
• InChIKey: CWWLSWOTSWWWLD-LZVLKHNHSA-N
• XLogP: 11.69
• TPSA: 245.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1037.20
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide?

The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide (CID 87540044) is N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide.

What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide?

The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide is C[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)n1cccn1.Cc1cnn(Cc2ccc(C(=O)Nc3cc(-c4ccco4)ccc3N)cc2)c1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cccn2)cc1.

What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide?

The InChIKey is CWWLSWOTSWWWLD-LZVLKHNHSA-N. The full InChI is InChI=1S/C22H20N4O2.C21H18N4O2.C18H18N4O/c1-15-12-24-26(13-15)14-16-4-6-17(7-5-16)22(27)25-20-11-18(8-9-19(20)23)21-3-2-10-28-21;22-18-9-8-17(20-3-1-12-27-20)13-19(18)24-21(26)16-6-4-15(5-7-16)14-25-11-2-10-23-25;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/h2-13H,14,23H2,1H3,(H,25,27);1-13H,14,22H2,(H,24,26);2-13H,19H2,1H3,(H,21,23)/t;;13-/m..0/s1.

What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide?

N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide has a molecular weight of 1037.20 g/mol, XLogP of 11.69, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-(furan-2-yl)phenyl]-4-[(4-methylpyrazol-1-yl)methyl]benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(1S)-1-pyrazol-1-ylethyl]benzamide is sourced from PubChem (CID 87540044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).