6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H16N5O2+ — CID 3441144

About 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3441144) has the molecular formula C19H16N5O2+ and a molecular weight of 346.37 g/mol. Its IUPAC name is 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 3441144
• Molecular Formula: C19H16N5O2+
• Molecular Weight: 346.37 g/mol
• Exact Mass: 346.13
• IUPAC Name: 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: COc1ccc(-c2[nH]nc3c2C(c2ccc[nH+]c2)C(C#N)=C(N)O3)cc1
• InChI: InChI=1S/C19H15N5O2/c1-25-13-6-4-11(5-7-13)17-16-15(12-3-2-8-22-10-12)14(9-20)18(21)26-19(16)24-23-17/h2-8,10,15H,21H2,1H3,(H,23,24)/p+1
• InChIKey: KNUFPSVBRUQPCF-UHFFFAOYSA-O
• XLogP: 2.12
• TPSA: 111.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.37
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3441144) is 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(-c2[nH]nc3c2C(c2ccc[nH+]c2)C(C#N)=C(N)O3)cc1.

What is the InChIKey of 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is KNUFPSVBRUQPCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15N5O2/c1-25-13-6-4-11(5-7-13)17-16-15(12-3-2-8-22-10-12)14(9-20)18(21)26-19(16)24-23-17/h2-8,10,15H,21H2,1H3,(H,23,24)/p+1.

What are the key properties of 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 346.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3441144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).