5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C19H20N4 — CID 122663123

IUPAC5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(CN2CCCn3nc(-c4ccccn4)cc3C2)cc1
InChIInChI=1S/C19H20N4/c1-2-7-16(8-3-1)14-22-11-6-12-23-17(15-22)13-19(21-23)18-9-4-5-10-20-18/h1-5,7-10,13H,6,11-12,14-15H2
InChIKeyWVAYPNSAUWOYKH-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.35
Rot. Bonds3

About 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 122663123) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID122663123
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(CN2CCCn3nc(-c4ccccn4)cc3C2)cc1
InChIInChI=1S/C19H20N4/c1-2-7-16(8-3-1)14-22-11-6-12-23-17(15-22)13-19(21-23)18-9-4-5-10-20-18/h1-5,7-10,13H,6,11-12,14-15H2
InChIKeyWVAYPNSAUWOYKH-UHFFFAOYSA-N
XLogP3.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 122663123) is 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is c1ccc(CN2CCCn3nc(-c4ccccn4)cc3C2)cc1.
What is the InChIKey of 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is WVAYPNSAUWOYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-7-16(8-3-1)14-22-11-6-12-23-17(15-22)13-19(21-23)18-9-4-5-10-20-18/h1-5,7-10,13H,6,11-12,14-15H2.
What are the key properties of 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 304.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 122663123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).