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

C14H12N6 — CID 2740772

IUPAC2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cc(C)n(-c2ccc(NN=C(C#N)C#N)cc2)n1
InChIInChI=1S/C14H12N6/c1-10-7-11(2)20(19-10)14-5-3-12(4-6-14)17-18-13(8-15)9-16/h3-7,17H,1-2H3
InChIKeyPYUGYNUGSVVUQX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.30
Rot. Bonds3

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

2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 2740772) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID2740772
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cc(C)n(-c2ccc(NN=C(C#N)C#N)cc2)n1
InChIInChI=1S/C14H12N6/c1-10-7-11(2)20(19-10)14-5-3-12(4-6-14)17-18-13(8-15)9-16/h3-7,17H,1-2H3
InChIKeyPYUGYNUGSVVUQX-UHFFFAOYSA-N
XLogP2.30
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 2740772) is 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1cc(C)n(-c2ccc(NN=C(C#N)C#N)cc2)n1.
What is the InChIKey of 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is PYUGYNUGSVVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-10-7-11(2)20(19-10)14-5-3-12(4-6-14)17-18-13(8-15)9-16/h3-7,17H,1-2H3.
What are the key properties of 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 264.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 2740772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).