bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene

C22H22N6 — CID 12718144

IUPACbis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
SMILESCc1cc(C)n(-c2ccccc2/N=N/c2ccccc2-n2nc(C)cc2C)n1
InChIInChI=1S/C22H22N6/c1-15-13-17(3)27(25-15)21-11-7-5-9-19(21)23-24-20-10-6-8-12-22(20)28-18(4)14-16(2)26-28/h5-14H,1-4H3/b24-23+
InChIKeyUQIPTJPZOVZBSB-WCWDXBQESA-N
MW370.46 g/mol
LogP5.71
Rot. Bonds4

About bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene

bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene (PubChem CID 12718144) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene.

Molecular Properties

Compound Namebis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
PubChem CID12718144
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Namebis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
SMILESCc1cc(C)n(-c2ccccc2/N=N/c2ccccc2-n2nc(C)cc2C)n1
InChIInChI=1S/C22H22N6/c1-15-13-17(3)27(25-15)21-11-7-5-9-19(21)23-24-20-10-6-8-12-22(20)28-18(4)14-16(2)26-28/h5-14H,1-4H3/b24-23+
InChIKeyUQIPTJPZOVZBSB-WCWDXBQESA-N
XLogP5.71
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.71
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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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
4-(3,5-dimethylpyrazol-1-yl)cinnoline
CID 63810532
1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
CID 168525628
2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 83823935
3-(3,5-dimethylpyrazol-1-yl)-1H-indole
CID 3573300
3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-olate
CID 22090511
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764

Frequently Asked Questions

What is the IUPAC name of bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene?
The IUPAC name of bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene (CID 12718144) is bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene.
What is the SMILES notation for bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene?
The canonical SMILES for bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene is Cc1cc(C)n(-c2ccccc2/N=N/c2ccccc2-n2nc(C)cc2C)n1.
What is the InChIKey of bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene?
The InChIKey is UQIPTJPZOVZBSB-WCWDXBQESA-N. The full InChI is InChI=1S/C22H22N6/c1-15-13-17(3)27(25-15)21-11-7-5-9-19(21)23-24-20-10-6-8-12-22(20)28-18(4)14-16(2)26-28/h5-14H,1-4H3/b24-23+.
What are the key properties of bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene?
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene has a molecular weight of 370.46 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene is sourced from PubChem (CID 12718144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).