6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C23H22N4O2 — CID 3827266

About 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 3827266) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• PubChem CID: 3827266
• Molecular Formula: C23H22N4O2
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.17
• IUPAC Name: 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• SMILES: CCCc1nn(-c2ccccc2)c2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2
• InChI: InChI=1S/C23H22N4O2/c1-3-8-19-21-20(15-9-7-12-17(13-15)28-2)18(14-24)22(25)29-23(21)27(26-19)16-10-5-4-6-11-16/h4-7,9-13,20H,3,8,25H2,1-2H3
• InChIKey: WBKANXMDVWKNCX-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 86.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 3827266) is 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

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

The canonical SMILES for 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is CCCc1nn(-c2ccccc2)c2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2.

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

The InChIKey is WBKANXMDVWKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-3-8-19-21-20(15-9-7-12-17(13-15)28-2)18(14-24)22(25)29-23(21)27(26-19)16-10-5-4-6-11-16/h4-7,9-13,20H,3,8,25H2,1-2H3.

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

6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-(3-methoxyphenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 3827266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).