5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide

C15H15N7O3 — CID 126800265

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 126800265) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 126800265
• Molecular Formula: C15H15N7O3
• Molecular Weight: 341.33 g/mol
• Exact Mass: 341.12
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
• SMILES: O=C(NCCn1ncnn1)c1cn[nH]c1-c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C15H15N7O3/c23-15(16-3-4-22-19-9-18-21-22)11-8-17-20-14(11)10-1-2-12-13(7-10)25-6-5-24-12/h1-2,7-9H,3-6H2,(H,16,23)(H,17,20)
• InChIKey: INEXRTJKECGKRF-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 119.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.33
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 126800265) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is O=C(NCCn1ncnn1)c1cn[nH]c1-c1ccc2c(c1)OCCO2.

What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

The InChIKey is INEXRTJKECGKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c23-15(16-3-4-22-19-9-18-21-22)11-8-17-20-14(11)10-1-2-12-13(7-10)25-6-5-24-12/h1-2,7-9H,3-6H2,(H,16,23)(H,17,20).

What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide?

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(tetrazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126800265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).