1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine

C17H15Cl2N5 — CID 4014803

IUPAC1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
SMILESClc1cc(Cl)cc(-n2nc(-c3cnccn3)c3c2NCCCC3)c1
InChIInChI=1S/C17H15Cl2N5/c18-11-7-12(19)9-13(8-11)24-17-14(3-1-2-4-22-17)16(23-24)15-10-20-5-6-21-15/h5-10,22H,1-4H2
InChIKeyXXXWNAOCNKOWPP-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.38
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine

1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine (PubChem CID 4014803) has the molecular formula C17H15Cl2N5 and a molecular weight of 360.25 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
PubChem CID4014803
Molecular FormulaC17H15Cl2N5
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
SMILESClc1cc(Cl)cc(-n2nc(-c3cnccn3)c3c2NCCCC3)c1
InChIInChI=1S/C17H15Cl2N5/c18-11-7-12(19)9-13(8-11)24-17-14(3-1-2-4-22-17)16(23-24)15-10-20-5-6-21-15/h5-10,22H,1-4H2
InChIKeyXXXWNAOCNKOWPP-UHFFFAOYSA-N
XLogP4.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine 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 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine (CID 4014803) is 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine is Clc1cc(Cl)cc(-n2nc(-c3cnccn3)c3c2NCCCC3)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine?
The InChIKey is XXXWNAOCNKOWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5/c18-11-7-12(19)9-13(8-11)24-17-14(3-1-2-4-22-17)16(23-24)15-10-20-5-6-21-15/h5-10,22H,1-4H2.
What are the key properties of 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine?
1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine has a molecular weight of 360.25 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-pyrazin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine is sourced from PubChem (CID 4014803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).