2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

C19H26N4O2 — CID 53186359

IUPAC2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCOCCNC(=O)N1CCCn2nc(-c3ccc(C)c(C)c3)cc2C1
InChIInChI=1S/C19H26N4O2/c1-14-5-6-16(11-15(14)2)18-12-17-13-22(8-4-9-23(17)21-18)19(24)20-7-10-25-3/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,20,24)
InChIKeyRHZGVUMAEPPQGS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.73
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 53186359) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID53186359
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCOCCNC(=O)N1CCCn2nc(-c3ccc(C)c(C)c3)cc2C1
InChIInChI=1S/C19H26N4O2/c1-14-5-6-16(11-15(14)2)18-12-17-13-22(8-4-9-23(17)21-18)19(24)20-7-10-25-3/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,20,24)
InChIKeyRHZGVUMAEPPQGS-UHFFFAOYSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 53186359) is 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is COCCNC(=O)N1CCCn2nc(-c3ccc(C)c(C)c3)cc2C1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is RHZGVUMAEPPQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-5-6-16(11-15(14)2)18-12-17-13-22(8-4-9-23(17)21-18)19(24)20-7-10-25-3/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,20,24).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 53186359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).