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

C10H9ClN4 — CID 174472675

IUPAC(3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene
SMILESCc1[nH]ncc1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN4/c1-7-10(6-12-13-7)15-14-9-4-2-3-8(11)5-9/h2-6H,1H3,(H,12,13)/b15-14+
InChIKeyAPJDRKYOQDDFAP-CCEZHUSRSA-N
MW220.66 g/mol
LogP3.79
Rot. Bonds2

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

(3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene (PubChem CID 174472675) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene.

Molecular Properties

Compound Name(3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene
PubChem CID174472675
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name(3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene
SMILESCc1[nH]ncc1/N=N/c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN4/c1-7-10(6-12-13-7)15-14-9-4-2-3-8(11)5-9/h2-6H,1H3,(H,12,13)/b15-14+
InChIKeyAPJDRKYOQDDFAP-CCEZHUSRSA-N
XLogP3.79
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.79
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 (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene?
The IUPAC name of (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene (CID 174472675) is (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene.
What is the SMILES notation for (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene?
The canonical SMILES for (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene is Cc1[nH]ncc1/N=N/c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene?
The InChIKey is APJDRKYOQDDFAP-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-7-10(6-12-13-7)15-14-9-4-2-3-8(11)5-9/h2-6H,1H3,(H,12,13)/b15-14+.
What are the key properties of (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene?
(3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene has a molecular weight of 220.66 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(5-methyl-1H-pyrazol-4-yl)diazene is sourced from PubChem (CID 174472675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).