(1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene

C9H12N6 — CID 154732195

IUPAC(1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene
SMILESCCn1ccc(/N=N/c2ccn(C)n2)n1
InChIInChI=1S/C9H12N6/c1-3-15-7-5-9(13-15)11-10-8-4-6-14(2)12-8/h4-7H,3H2,1-2H3/b11-10+
InChIKeyFHYDLLFDBQGMRZ-ZHACJKMWSA-N
MW204.24 g/mol
LogP2.05
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene

(1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene (PubChem CID 154732195) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene
PubChem CID154732195
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name(1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene
SMILESCCn1ccc(/N=N/c2ccn(C)n2)n1
InChIInChI=1S/C9H12N6/c1-3-15-7-5-9(13-15)11-10-8-4-6-14(2)12-8/h4-7H,3H2,1-2H3/b11-10+
InChIKeyFHYDLLFDBQGMRZ-ZHACJKMWSA-N
XLogP2.05
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.05
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-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene?
The IUPAC name of (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene (CID 154732195) is (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene?
The canonical SMILES for (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene is CCn1ccc(/N=N/c2ccn(C)n2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene?
The InChIKey is FHYDLLFDBQGMRZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H12N6/c1-3-15-7-5-9(13-15)11-10-8-4-6-14(2)12-8/h4-7H,3H2,1-2H3/b11-10+.
What are the key properties of (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene?
(1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene has a molecular weight of 204.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-(1-methylpyrazol-3-yl)diazene is sourced from PubChem (CID 154732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).