(4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C22H20N4O3 — CID 2065626

About (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2065626) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 2065626
• Molecular Formula: C22H20N4O3
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.15
• IUPAC Name: (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1
• InChI: InChI=1S/C22H20N4O3/c1-2-10-28-16-8-6-13(7-9-16)20-19-18(14-4-3-5-15(27)11-14)17(12-23)21(24)29-22(19)26-25-20/h3-9,11,18,27H,2,10,24H2,1H3,(H,25,26)/t18-/m1/s1
• InChIKey: XUZLBPXQFJBGRM-GOSISDBHSA-N
• XLogP: 3.79
• TPSA: 117.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2065626) is (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1.

What is the InChIKey of (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is XUZLBPXQFJBGRM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-10-28-16-8-6-13(7-9-16)20-19-18(14-4-3-5-15(27)11-14)17(12-23)21(24)29-22(19)26-25-20/h3-9,11,18,27H,2,10,24H2,1H3,(H,25,26)/t18-/m1/s1.

What are the key properties of (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

(4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 388.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-amino-4-(3-hydroxyphenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2065626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).