6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol

C20H19ClN4O3 — CID 126476362

About 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol

6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol (PubChem CID 126476362) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol.

Molecular Properties

• Compound Name: 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol
• PubChem CID: 126476362
• Molecular Formula: C20H19ClN4O3
• Molecular Weight: 398.85 g/mol
• Exact Mass: 398.11
• IUPAC Name: 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol
• SMILES: CCO.Cc1[nH]nc2c1C(c1ccc(-c3ccccc3Cl)o1)C(C#N)=C(N)O2
• InChI: InChI=1S/C18H13ClN4O2.C2H6O/c1-9-15-16(11(8-20)17(21)25-18(15)23-22-9)14-7-6-13(24-14)10-4-2-3-5-12(10)19;1-2-3/h2-7,16H,21H2,1H3,(H,22,23);3H,2H2,1H3
• InChIKey: OTDYKZGOYYYEAF-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 121.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.85
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol?

The IUPAC name of 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol (CID 126476362) is 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol.

What is the SMILES notation for 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol?

The canonical SMILES for 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol is CCO.Cc1[nH]nc2c1C(c1ccc(-c3ccccc3Cl)o1)C(C#N)=C(N)O2.

What is the InChIKey of 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol?

The InChIKey is OTDYKZGOYYYEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2.C2H6O/c1-9-15-16(11(8-20)17(21)25-18(15)23-22-9)14-7-6-13(24-14)10-4-2-3-5-12(10)19;1-2-3/h2-7,16H,21H2,1H3,(H,22,23);3H,2H2,1H3.

What are the key properties of 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol?

6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol has a molecular weight of 398.85 g/mol, XLogP of 3.85, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol is sourced from PubChem (CID 126476362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).