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

C19H15F3N10O — CID 135169814

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

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide (PubChem CID 135169814) has the molecular formula C19H15F3N10O and a molecular weight of 456.39 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide
• PubChem CID: 135169814
• Molecular Formula: C19H15F3N10O
• Molecular Weight: 456.39 g/mol
• Exact Mass: 456.14
• IUPAC Name: N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide
• SMILES: Cc1c(-n2ncc(C(=O)Nc3cnc(-n4nccn4)c(C#N)c3)c2C(F)(F)F)nn(C)c1C
• InChI: InChI=1S/C19H15F3N10O/c1-10-11(2)30(3)29-16(10)31-15(19(20,21)22)14(9-27-31)18(33)28-13-6-12(7-23)17(24-8-13)32-25-4-5-26-32/h4-6,8-9H,1-3H3,(H,28,33)
• InChIKey: CZNWGYRFLNSOSG-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 132.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.39
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide (CID 135169814) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide.

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

The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide is Cc1c(-n2ncc(C(=O)Nc3cnc(-n4nccn4)c(C#N)c3)c2C(F)(F)F)nn(C)c1C.

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

The InChIKey is CZNWGYRFLNSOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N10O/c1-10-11(2)30(3)29-16(10)31-15(19(20,21)22)14(9-27-31)18(33)28-13-6-12(7-23)17(24-8-13)32-25-4-5-26-32/h4-6,8-9H,1-3H3,(H,28,33).

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

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 456.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 135169814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).