chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene

C4H4Cl2N4 — CID 135718502

IUPACchloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene
SMILESCc1[nH]nc(/N=N/Cl)c1Cl
InChIInChI=1S/C4H4Cl2N4/c1-2-3(5)4(8-7-2)9-10-6/h1H3,(H,7,8)/b10-9+
InChIKeyOBQGVSPQXAAKKS-MDZDMXLPSA-N
MW179.01 g/mol
LogP2.61
Rot. Bonds1

About chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene

chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene (PubChem CID 135718502) has the molecular formula C4H4Cl2N4 and a molecular weight of 179.01 g/mol. Its IUPAC name is chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene.

Molecular Properties

Compound Namechloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene
PubChem CID135718502
Molecular FormulaC4H4Cl2N4
Molecular Weight179.01 g/mol
Exact Mass177.98
IUPAC Namechloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene
SMILESCc1[nH]nc(/N=N/Cl)c1Cl
InChIInChI=1S/C4H4Cl2N4/c1-2-3(5)4(8-7-2)9-10-6/h1H3,(H,7,8)/b10-9+
InChIKeyOBQGVSPQXAAKKS-MDZDMXLPSA-N
XLogP2.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene?
The IUPAC name of chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene (CID 135718502) is chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene.
What is the SMILES notation for chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene?
The canonical SMILES for chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene is Cc1[nH]nc(/N=N/Cl)c1Cl.
What is the InChIKey of chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene?
The InChIKey is OBQGVSPQXAAKKS-MDZDMXLPSA-N. The full InChI is InChI=1S/C4H4Cl2N4/c1-2-3(5)4(8-7-2)9-10-6/h1H3,(H,7,8)/b10-9+.
What are the key properties of chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene?
chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene has a molecular weight of 179.01 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-chloro-5-methyl-1H-pyrazol-3-yl)diazene is sourced from PubChem (CID 135718502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).