N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20N6O3 — CID 19414772

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414772) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19414772
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCn1cc(-c2ccnc3c(C(=O)Nc4ccc5c(c4)OCCO5)cnn23)c(C)n1
• InChI: InChI=1S/C21H20N6O3/c1-3-26-12-16(13(2)25-26)17-6-7-22-20-15(11-23-27(17)20)21(28)24-14-4-5-18-19(10-14)30-9-8-29-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,28)
• InChIKey: VFBRWWRUKFCXCG-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 95.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414772) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4ccc5c(c4)OCCO5)cnn23)c(C)n1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VFBRWWRUKFCXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-3-26-12-16(13(2)25-26)17-6-7-22-20-15(11-23-27(17)20)21(28)24-14-4-5-18-19(10-14)30-9-8-29-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,28).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).