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

C20H12ClF3N8O — CID 146285295

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

1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146285295) has the molecular formula C20H12ClF3N8O and a molecular weight of 472.82 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 146285295
• Molecular Formula: C20H12ClF3N8O
• Molecular Weight: 472.82 g/mol
• Exact Mass: 472.08
• IUPAC Name: 1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1cc(Cl)ccc1-n1ncc(C(=O)Nc2cnc(-n3nccn3)c(C#N)c2)c1C(F)(F)F
• InChI: InChI=1S/C20H12ClF3N8O/c1-11-6-13(21)2-3-16(11)31-17(20(22,23)24)15(10-29-31)19(33)30-14-7-12(8-25)18(26-9-14)32-27-4-5-28-32/h2-7,9-10H,1H3,(H,30,33)
• InChIKey: HRTIFZXDNQHJCS-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 114.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.82
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146285295) is 1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

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

The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cc(Cl)ccc1-n1ncc(C(=O)Nc2cnc(-n3nccn3)c(C#N)c2)c1C(F)(F)F.

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

The InChIKey is HRTIFZXDNQHJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N8O/c1-11-6-13(21)2-3-16(11)31-17(20(22,23)24)15(10-29-31)19(33)30-14-7-12(8-25)18(26-9-14)32-27-4-5-28-32/h2-7,9-10H,1H3,(H,30,33).

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

1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 472.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-2-methylphenyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146285295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).