ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate

C19H20N4O5 — CID 1086189

About ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate

ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate (PubChem CID 1086189) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
• PubChem CID: 1086189
• Molecular Formula: C19H20N4O5
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate
• SMILES: CCOC(=O)Cc1[nH]nc2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2
• InChI: InChI=1S/C19H20N4O5/c1-4-27-14(24)8-12-16-15(10-6-5-7-13(25-2)17(10)26-3)11(9-20)18(21)28-19(16)23-22-12/h5-7,15H,4,8,21H2,1-3H3,(H,22,23)/t15-/m1/s1
• InChIKey: AYPRCJKACZDAGJ-OAHLLOKOSA-N
• XLogP: 1.75
• TPSA: 132.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate (CID 1086189) is ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate.

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

The canonical SMILES for ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate is CCOC(=O)Cc1[nH]nc2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2.

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

The InChIKey is AYPRCJKACZDAGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-4-27-14(24)8-12-16-15(10-6-5-7-13(25-2)17(10)26-3)11(9-20)18(21)28-19(16)23-22-12/h5-7,15H,4,8,21H2,1-3H3,(H,22,23)/t15-/m1/s1.

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

ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate has a molecular weight of 384.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(4R)-6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate is sourced from PubChem (CID 1086189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).