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

C25H22N6O — CID 19334609

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

6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 19334609) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• PubChem CID: 19334609
• Molecular Formula: C25H22N6O
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.19
• IUPAC Name: 6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• SMILES: CCn1ncc(C2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1C
• InChI: InChI=1S/C25H22N6O/c1-3-30-16(2)20(15-28-30)21-19(14-26)24(27)32-25-22(21)23(17-10-6-4-7-11-17)29-31(25)18-12-8-5-9-13-18/h4-13,15,21H,3,27H2,1-2H3
• InChIKey: UEJHNJDLGWQSTD-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 94.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	4.28
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-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 19334609) is 6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

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

The canonical SMILES for 6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is CCn1ncc(C2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1C.

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

The InChIKey is UEJHNJDLGWQSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-3-30-16(2)20(15-28-30)21-19(14-26)24(27)32-25-22(21)23(17-10-6-4-7-11-17)29-31(25)18-12-8-5-9-13-18/h4-13,15,21H,3,27H2,1-2H3.

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

6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 422.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 19334609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).