N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

C20H19N7O2 — CID 71793314

About N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 71793314) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
• PubChem CID: 71793314
• Molecular Formula: C20H19N7O2
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.16
• IUPAC Name: N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
• SMILES: Cn1c(-c2ccccn2)nn(CCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1=O
• InChI: InChI=1S/C20H19N7O2/c1-26-18(15-9-5-6-10-21-15)25-27(20(26)29)12-11-22-19(28)17-13-16(23-24-17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,28)(H,23,24)
• InChIKey: ZSHYYUJQPVVRLX-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 110.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 71793314) is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cn1c(-c2ccccn2)nn(CCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1=O.

What is the InChIKey of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?

The InChIKey is ZSHYYUJQPVVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-26-18(15-9-5-6-10-21-15)25-27(20(26)29)12-11-22-19(28)17-13-16(23-24-17)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,28)(H,23,24).

What are the key properties of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71793314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).