5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide

C21H23N5O3 — CID 163011485

About 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 163011485) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 163011485
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide
• SMILES: O=C(NCCN1CC2CC(C1)c1cccc(=O)n1C2)c1cc(-c2ccco2)[nH]n1
• InChI: InChI=1S/C21H23N5O3/c27-20-5-1-3-18-15-9-14(12-26(18)20)11-25(13-15)7-6-22-21(28)17-10-16(23-24-17)19-4-2-8-29-19/h1-5,8,10,14-15H,6-7,9,11-13H2,(H,22,28)(H,23,24)
• InChIKey: LXLAJQMZMRCBSV-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 96.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 163011485) is 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide is O=C(NCCN1CC2CC(C1)c1cccc(=O)n1C2)c1cc(-c2ccco2)[nH]n1.

What is the InChIKey of 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide?

The InChIKey is LXLAJQMZMRCBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-20-5-1-3-18-15-9-14(12-26(18)20)11-25(13-15)7-6-22-21(28)17-10-16(23-24-17)19-4-2-8-29-19/h1-5,8,10,14-15H,6-7,9,11-13H2,(H,22,28)(H,23,24).

What are the key properties of 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide?

5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 163011485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).