(1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene

C11H16N6 — CID 154732232

IUPAC(1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene
SMILESCCn1cc(C)c(/N=N/c2nn(C)cc2C)n1
InChIInChI=1S/C11H16N6/c1-5-17-7-9(3)11(15-17)13-12-10-8(2)6-16(4)14-10/h6-7H,5H2,1-4H3/b13-12+
InChIKeyPAJQNNWYDQRYPQ-OUKQBFOZSA-N
MW232.29 g/mol
LogP2.67
Rot. Bonds3

About (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene

(1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene (PubChem CID 154732232) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene.

Molecular Properties

Compound Name(1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene
PubChem CID154732232
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name(1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene
SMILESCCn1cc(C)c(/N=N/c2nn(C)cc2C)n1
InChIInChI=1S/C11H16N6/c1-5-17-7-9(3)11(15-17)13-12-10-8(2)6-16(4)14-10/h6-7H,5H2,1-4H3/b13-12+
InChIKeyPAJQNNWYDQRYPQ-OUKQBFOZSA-N
XLogP2.67
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene?
The IUPAC name of (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene (CID 154732232) is (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene.
What is the SMILES notation for (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene?
The canonical SMILES for (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene is CCn1cc(C)c(/N=N/c2nn(C)cc2C)n1.
What is the InChIKey of (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene?
The InChIKey is PAJQNNWYDQRYPQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C11H16N6/c1-5-17-7-9(3)11(15-17)13-12-10-8(2)6-16(4)14-10/h6-7H,5H2,1-4H3/b13-12+.
What are the key properties of (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene?
(1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene has a molecular weight of 232.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpyrazol-3-yl)-(1-ethyl-4-methylpyrazol-3-yl)diazene is sourced from PubChem (CID 154732232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).