2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile

C13H10N6 — CID 169339231

IUPAC2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cc(-c2ccccc2NN=C(C#N)C#N)n[nH]1
InChIInChI=1S/C13H10N6/c1-9-6-13(19-16-9)11-4-2-3-5-12(11)18-17-10(7-14)8-15/h2-6,18H,1H3,(H,16,19)
InChIKeyVEUVDTAVVMSJCP-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.20
Rot. Bonds3

About 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339231) has the molecular formula C13H10N6 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339231
Molecular FormulaC13H10N6
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1cc(-c2ccccc2NN=C(C#N)C#N)n[nH]1
InChIInChI=1S/C13H10N6/c1-9-6-13(19-16-9)11-4-2-3-5-12(11)18-17-10(7-14)8-15/h2-6,18H,1H3,(H,16,19)
InChIKeyVEUVDTAVVMSJCP-UHFFFAOYSA-N
XLogP2.20
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169339231) is 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1cc(-c2ccccc2NN=C(C#N)C#N)n[nH]1.
What is the InChIKey of 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is VEUVDTAVVMSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6/c1-9-6-13(19-16-9)11-4-2-3-5-12(11)18-17-10(7-14)8-15/h2-6,18H,1H3,(H,16,19).
What are the key properties of 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 250.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-1H-pyrazol-3-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).