1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine

C14H15N5 — CID 123382339

IUPAC1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine
SMILES[H]/N=C(C(=N/[H])/c1ccccc1)\N1CCc2cn[nH]c2C1
InChIInChI=1S/C14H15N5/c15-13(10-4-2-1-3-5-10)14(16)19-7-6-11-8-17-18-12(11)9-19/h1-5,8,15-16H,6-7,9H2,(H,17,18)/b15-13+,16-14-
InChIKeyBHEOIACVIQJDRO-ZNOBWPMYSA-N
MW253.31 g/mol
LogP1.81
Rot. Bonds2

About 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine

1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine (PubChem CID 123382339) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine.

Molecular Properties

Compound Name1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine
PubChem CID123382339
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine
SMILES[H]/N=C(C(=N/[H])/c1ccccc1)\N1CCc2cn[nH]c2C1
InChIInChI=1S/C14H15N5/c15-13(10-4-2-1-3-5-10)14(16)19-7-6-11-8-17-18-12(11)9-19/h1-5,8,15-16H,6-7,9H2,(H,17,18)/b15-13+,16-14-
InChIKeyBHEOIACVIQJDRO-ZNOBWPMYSA-N
XLogP1.81
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine 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-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine?
The IUPAC name of 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine (CID 123382339) is 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine.
What is the SMILES notation for 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine?
The canonical SMILES for 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine is [H]/N=C(C(=N/[H])/c1ccccc1)\N1CCc2cn[nH]c2C1.
What is the InChIKey of 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine?
The InChIKey is BHEOIACVIQJDRO-ZNOBWPMYSA-N. The full InChI is InChI=1S/C14H15N5/c15-13(10-4-2-1-3-5-10)14(16)19-7-6-11-8-17-18-12(11)9-19/h1-5,8,15-16H,6-7,9H2,(H,17,18)/b15-13+,16-14-.
What are the key properties of 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine?
1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine has a molecular weight of 253.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethane-1,2-diimine is sourced from PubChem (CID 123382339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).