5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide

C27H21Cl2N7O2 — CID 118497125

About 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide

5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 118497125) has the molecular formula C27H21Cl2N7O2 and a molecular weight of 546.42 g/mol. Its IUPAC name is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide
• PubChem CID: 118497125
• Molecular Formula: C27H21Cl2N7O2
• Molecular Weight: 546.42 g/mol
• Exact Mass: 545.11
• IUPAC Name: 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1NC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
• InChI: InChI=1S/C27H21Cl2N7O2/c1-15-25(16(2)34-33-15)32-27(38)23-14-24(36(35-23)17-8-4-3-5-9-17)31-26(37)19-12-18(20(28)13-21(19)29)22-10-6-7-11-30-22/h3-14H,1-2H3,(H,31,37)(H,32,38)(H,33,34)
• InChIKey: BVWGMIMXCDLZGU-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.42
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide?

The IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide (CID 118497125) is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide.

What is the SMILES notation for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide?

The canonical SMILES for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1.

What is the InChIKey of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide?

The InChIKey is BVWGMIMXCDLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2N7O2/c1-15-25(16(2)34-33-15)32-27(38)23-14-24(36(35-23)17-8-4-3-5-9-17)31-26(37)19-12-18(20(28)13-21(19)29)22-10-6-7-11-30-22/h3-14H,1-2H3,(H,31,37)(H,32,38)(H,33,34).

What are the key properties of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide?

5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 546.42 g/mol, XLogP of 6.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).