2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile

C17H14N8 — CID 169339915

IUPAC2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESCc1c(-c2ccn(-c3ccc(NN=C(C#N)C#N)cc3)n2)cnn1C
InChIInChI=1S/C17H14N8/c1-12-16(11-20-24(12)2)17-7-8-25(23-17)15-5-3-13(4-6-15)21-22-14(9-18)10-19/h3-8,11,21H,1-2H3
InChIKeyQTZBXXVQTQCKDJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.40
Rot. Bonds4

About 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile

2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339915) has the molecular formula C17H14N8 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339915
Molecular FormulaC17H14N8
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESCc1c(-c2ccn(-c3ccc(NN=C(C#N)C#N)cc3)n2)cnn1C
InChIInChI=1S/C17H14N8/c1-12-16(11-20-24(12)2)17-7-8-25(23-17)15-5-3-13(4-6-15)21-22-14(9-18)10-19/h3-8,11,21H,1-2H3
InChIKeyQTZBXXVQTQCKDJ-UHFFFAOYSA-N
XLogP2.40
TPSA107.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile 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 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile (CID 169339915) is 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile is Cc1c(-c2ccn(-c3ccc(NN=C(C#N)C#N)cc3)n2)cnn1C.
What is the InChIKey of 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is QTZBXXVQTQCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8/c1-12-16(11-20-24(12)2)17-7-8-25(23-17)15-5-3-13(4-6-15)21-22-14(9-18)10-19/h3-8,11,21H,1-2H3.
What are the key properties of 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile?
2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 330.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).