3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C21H21Cl2F2N7O2 — CID 136950015

About 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 136950015) has the molecular formula C21H21Cl2F2N7O2 and a molecular weight of 512.35 g/mol. Its IUPAC name is 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• PubChem CID: 136950015
• Molecular Formula: C21H21Cl2F2N7O2
• Molecular Weight: 512.35 g/mol
• Exact Mass: 511.11
• IUPAC Name: 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• SMILES: [H]/N=N/NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)NC1(C)CC3(C1)CC3(F)F)CC2
• InChI: InChI=1S/C21H21Cl2F2N7O2/c1-19(8-20(9-19)10-21(20,24)25)27-18(34)31-4-5-32-14(7-31)15(17(33)28-30-26)16(29-32)11-2-3-12(22)13(23)6-11/h2-3,6H,4-5,7-10H2,1H3,(H,27,34)(H2,26,28,33)
• InChIKey: JGCRJDGEVBUSOI-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 115.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.35
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The IUPAC name of 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 136950015) is 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

What is the SMILES notation for 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The canonical SMILES for 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is [H]/N=N/NC(=O)c1c(-c2ccc(Cl)c(Cl)c2)nn2c1CN(C(=O)NC1(C)CC3(C1)CC3(F)F)CC2.

What is the InChIKey of 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The InChIKey is JGCRJDGEVBUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F2N7O2/c1-19(8-20(9-19)10-21(20,24)25)27-18(34)31-4-5-32-14(7-31)15(17(33)28-30-26)16(29-32)11-2-3-12(22)13(23)6-11/h2-3,6H,4-5,7-10H2,1H3,(H,27,34)(H2,26,28,33).

What are the key properties of 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 512.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-diazenyl-2-(3,4-dichlorophenyl)-5-N-(2,2-difluoro-5-methylspiro[2.3]hexan-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 136950015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).