5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

C18H20N8O — CID 56750239

About 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 56750239) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 56750239
• Molecular Formula: C18H20N8O
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.18
• IUPAC Name: 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
• SMILES: CCn1cnnc1CCNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
• InChI: InChI=1S/C18H20N8O/c1-2-25-12-21-24-17(25)7-8-19-18(27)15-9-13(22-23-15)10-26-11-20-14-5-3-4-6-16(14)26/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,19,27)(H,22,23)
• InChIKey: MHCLNJUGDJQJKU-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 106.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 56750239) is 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

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

The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is CCn1cnnc1CCNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1.

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

The InChIKey is MHCLNJUGDJQJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-2-25-12-21-24-17(25)7-8-19-18(27)15-9-13(22-23-15)10-26-11-20-14-5-3-4-6-16(14)26/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,19,27)(H,22,23).

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

5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56750239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).