(4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene

C11H15BrN6 — CID 162540292

IUPAC(4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene
SMILESCc1cn(C(C)C)nc1/N=N/c1nn(C)cc1Br
InChIInChI=1S/C11H15BrN6/c1-7(2)18-5-8(3)10(16-18)13-14-11-9(12)6-17(4)15-11/h5-7H,1-4H3/b14-13+
InChIKeyJUFNIXBTTGPJJX-BUHFOSPRSA-N
MW311.19 g/mol
LogP3.68
Rot. Bonds3

About (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene

(4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene (PubChem CID 162540292) has the molecular formula C11H15BrN6 and a molecular weight of 311.19 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene
PubChem CID162540292
Molecular FormulaC11H15BrN6
Molecular Weight311.19 g/mol
Exact Mass310.05
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene
SMILESCc1cn(C(C)C)nc1/N=N/c1nn(C)cc1Br
InChIInChI=1S/C11H15BrN6/c1-7(2)18-5-8(3)10(16-18)13-14-11-9(12)6-17(4)15-11/h5-7H,1-4H3/b14-13+
InChIKeyJUFNIXBTTGPJJX-BUHFOSPRSA-N
XLogP3.68
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 53.68
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

bis(1,4-dimethylpyrazol-3-yl)diazene
CID 162540280
3-bromo-4-methyl-1-propan-2-ylpyrazole
CID 130138856
3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335
4-bromo-1,3-dimethylpyrazole
CID 12615416
4-bromo-3-iodo-1-propan-2-ylpyrazole
CID 79785174
(1R)-1-(4-bromo-1-methylpyrazol-3-yl)ethanol
CID 124672470
4-bromo-3-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole
CID 67042384
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine
CID 83887921
4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
CID 142566344
4-bromo-6-methyl-2-propan-2-ylpyrazolo[3,4-c]pyridin-7-one
CID 134512205
4-bromo-3-(methoxymethyl)-1-propan-2-ylpyrazole
CID 122170616

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene (CID 162540292) is (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene is Cc1cn(C(C)C)nc1/N=N/c1nn(C)cc1Br.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene?
The InChIKey is JUFNIXBTTGPJJX-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H15BrN6/c1-7(2)18-5-8(3)10(16-18)13-14-11-9(12)6-17(4)15-11/h5-7H,1-4H3/b14-13+.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene?
(4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene has a molecular weight of 311.19 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-(4-methyl-1-propan-2-ylpyrazol-3-yl)diazene is sourced from PubChem (CID 162540292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).