5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one

C19H19N5O2 — CID 154820489

About 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one

5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one (PubChem CID 154820489) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

• Compound Name: 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
• PubChem CID: 154820489
• Molecular Formula: C19H19N5O2
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.15
• IUPAC Name: 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
• SMILES: Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1c[nH]c(=O)cn1)CC2
• InChI: InChI=1S/C19H19N5O2/c1-23-16-8-10-24(19(26)15-11-21-17(25)12-20-15)9-7-14(16)18(22-23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,21,25)
• InChIKey: GCKQXAKXNVQWKH-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?

The IUPAC name of 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one (CID 154820489) is 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one.

What is the SMILES notation for 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?

The canonical SMILES for 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one is Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1c[nH]c(=O)cn1)CC2.

What is the InChIKey of 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?

The InChIKey is GCKQXAKXNVQWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-23-16-8-10-24(19(26)15-11-21-17(25)12-20-15)9-7-14(16)18(22-23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,21,25).

What are the key properties of 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?

5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one has a molecular weight of 349.39 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 154820489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).