6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H16N4O2S — CID 2961855

About 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2961855) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 2961855
• Molecular Formula: C19H16N4O2S
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.10
• IUPAC Name: 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: Cc1ccc(SCc2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)cc1
• InChI: InChI=1S/C19H16N4O2S/c1-11-4-6-12(7-5-11)26-10-14-17-16(15-3-2-8-24-15)13(9-20)18(21)25-19(17)23-22-14/h2-8,16H,10,21H2,1H3,(H,22,23)
• InChIKey: VUFGGALIONUSTC-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2961855) is 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

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

The canonical SMILES for 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc(SCc2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)cc1.

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

The InChIKey is VUFGGALIONUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11-4-6-12(7-5-11)26-10-14-17-16(15-3-2-8-24-15)13(9-20)18(21)25-19(17)23-22-14/h2-8,16H,10,21H2,1H3,(H,22,23).

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

6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 364.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-(furan-2-yl)-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2961855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).