5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide

C23H18N4O5 — CID 24620605

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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 24620605) has the molecular formula C23H18N4O5 and a molecular weight of 430.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 24620605
• Molecular Formula: C23H18N4O5
• Molecular Weight: 430.42 g/mol
• Exact Mass: 430.13
• IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide
• SMILES: O=C(Nc1cccc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)c1)c1ccco1
• InChI: InChI=1S/C23H18N4O5/c28-22(25-15-3-1-4-16(12-15)26-23(29)19-5-2-8-30-19)17-13-24-27-21(17)14-6-7-18-20(11-14)32-10-9-31-18/h1-8,11-13H,9-10H2,(H,24,27)(H,25,28)(H,26,29)
• InChIKey: DQVINDAJYLNYLF-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 118.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.42
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide (CID 24620605) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide.

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

The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1cccc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCCO3)c1)c1ccco1.

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

The InChIKey is DQVINDAJYLNYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O5/c28-22(25-15-3-1-4-16(12-15)26-23(29)19-5-2-8-30-19)17-13-24-27-21(17)14-6-7-18-20(11-14)32-10-9-31-18/h1-8,11-13H,9-10H2,(H,24,27)(H,25,28)(H,26,29).

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

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 430.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24620605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).