6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C23H18N6O — CID 19334618

About 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 19334618) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• PubChem CID: 19334618
• Molecular Formula: C23H18N6O
• Molecular Weight: 394.44 g/mol
• Exact Mass: 394.15
• IUPAC Name: 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• SMILES: Cn1nccc1C1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1
• InChI: InChI=1S/C23H18N6O/c1-28-18(12-13-26-28)19-17(14-24)22(25)30-23-20(19)21(15-8-4-2-5-9-15)27-29(23)16-10-6-3-7-11-16/h2-13,19H,25H2,1H3
• InChIKey: WVODAUPIUVDARR-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 94.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.44
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 19334618) is 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is Cn1nccc1C1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1.

What is the InChIKey of 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The InChIKey is WVODAUPIUVDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-28-18(12-13-26-28)19-17(14-24)22(25)30-23-20(19)21(15-8-4-2-5-9-15)27-29(23)16-10-6-3-7-11-16/h2-13,19H,25H2,1H3.

What are the key properties of 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 394.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-(2-methylpyrazol-3-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 19334618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).