1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H11ClF3N9O — CID 146285339

About 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285339) has the molecular formula C19H11ClF3N9O and a molecular weight of 473.81 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 146285339
• Molecular Formula: C19H11ClF3N9O
• Molecular Weight: 473.81 g/mol
• Exact Mass: 473.07
• IUPAC Name: 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1nc(Cl)ccc1-n1ncc(C(=O)Nc2cnc(-n3nccn3)c(C#N)c2)c1C(F)(F)F
• InChI: InChI=1S/C19H11ClF3N9O/c1-10-14(2-3-15(20)29-10)31-16(19(21,22)23)13(9-28-31)18(33)30-12-6-11(7-24)17(25-8-12)32-26-4-5-27-32/h2-6,8-9H,1H3,(H,30,33)
• InChIKey: JWZKXVBBGDAVAW-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 127.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.81
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285339) is 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1nc(Cl)ccc1-n1ncc(C(=O)Nc2cnc(-n3nccn3)c(C#N)c2)c1C(F)(F)F.

What is the InChIKey of 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is JWZKXVBBGDAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N9O/c1-10-14(2-3-15(20)29-10)31-16(19(21,22)23)13(9-28-31)18(33)30-12-6-11(7-24)17(25-8-12)32-26-4-5-27-32/h2-6,8-9H,1H3,(H,30,33).

What are the key properties of 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 473.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-2-methyl-3-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).