N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C88H70Cl4N18O4 — CID 158668511

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 158668511) has the molecular formula C88H70Cl4N18O4 and a molecular weight of 1585.46 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
• PubChem CID: 158668511
• Molecular Formula: C88H70Cl4N18O4
• Molecular Weight: 1585.46 g/mol
• Exact Mass: 1582.46
• IUPAC Name: N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
• SMILES: Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)n1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2cccn2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2cncn2)cc1
• InChI: InChI=1S/C24H21ClN4O.C22H17ClN4O.2C21H16ClN5O/c1-16-13-17(2)29(28-16)15-18-6-8-19(9-7-18)24(30)27-20-10-11-22(25)21(14-20)23-5-3-4-12-26-23;23-20-10-9-18(14-19(20)21-4-1-2-11-24-21)26-22(28)17-7-5-16(6-8-17)15-27-13-3-12-25-27;22-19-9-8-17(11-18(19)20-3-1-2-10-24-20)26-21(28)16-6-4-15(5-7-16)12-27-14-23-13-25-27;22-19-9-8-17(13-18(19)20-3-1-2-10-23-20)25-21(28)16-6-4-15(5-7-16)14-27-12-11-24-26-27/h3-14H,15H2,1-2H3,(H,27,30);1-14H,15H2,(H,26,28);1-11,13-14H,12H2,(H,26,28);1-13H,14H2,(H,25,28)
• InChIKey: IDQSHJJEPVLWPF-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 265.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1585.46
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?

The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 158668511) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?

The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)n1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2cccn2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2ccnn2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2cncn2)cc1.

What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?

The InChIKey is IDQSHJJEPVLWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O.C22H17ClN4O.2C21H16ClN5O/c1-16-13-17(2)29(28-16)15-18-6-8-19(9-7-18)24(30)27-20-10-11-22(25)21(14-20)23-5-3-4-12-26-23;23-20-10-9-18(14-19(20)21-4-1-2-11-24-21)26-22(28)17-7-5-16(6-8-17)15-27-13-3-12-25-27;22-19-9-8-17(11-18(19)20-3-1-2-10-24-20)26-21(28)16-6-4-15(5-7-16)12-27-14-23-13-25-27;22-19-9-8-17(13-18(19)20-3-1-2-10-23-20)25-21(28)16-6-4-15(5-7-16)14-27-12-11-24-26-27/h3-14H,15H2,1-2H3,(H,27,30);1-14H,15H2,(H,26,28);1-11,13-14H,12H2,(H,26,28);1-13H,14H2,(H,25,28).

What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 1585.46 g/mol, XLogP of 19.00, 20 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 158668511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).