[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate

C15H14N4O4 — CID 171985987

About [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate

[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate (PubChem CID 171985987) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate
• PubChem CID: 171985987
• Molecular Formula: C15H14N4O4
• Molecular Weight: 314.30 g/mol
• Exact Mass: 314.10
• IUPAC Name: [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate
• SMILES: CC(=O)OCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)o1
• InChI: InChI=1S/C15H14N4O4/c1-7-12-13(10(5-16)14(17)23-15(12)19-18-7)11-4-3-9(22-11)6-21-8(2)20/h3-4,13H,6,17H2,1-2H3,(H,18,19)
• InChIKey: NWAJNPBVICPHJE-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 127.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.30
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate?

The IUPAC name of [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate (CID 171985987) is [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate.

What is the SMILES notation for [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate?

The canonical SMILES for [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate is CC(=O)OCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)o1.

What is the InChIKey of [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate?

The InChIKey is NWAJNPBVICPHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-7-12-13(10(5-16)14(17)23-15(12)19-18-7)11-4-3-9(22-11)6-21-8(2)20/h3-4,13H,6,17H2,1-2H3,(H,18,19).

What are the key properties of [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate?

[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate has a molecular weight of 314.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate is sourced from PubChem (CID 171985987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).