[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine

C13H16BrN7 — CID 103129772

IUPAC[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2cnn3ccncc23)c1Br
InChIInChI=1S/C13H16BrN7/c1-8-13(14)11(20(2)19-8)5-10(18-15)9-6-17-21-4-3-16-7-12(9)21/h3-4,6-7,10,18H,5,15H2,1-2H3
InChIKeyRJFXCUAXZNYTOX-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.28
Rot. Bonds4

About [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine (PubChem CID 103129772) has the molecular formula C13H16BrN7 and a molecular weight of 350.22 g/mol. Its IUPAC name is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
PubChem CID103129772
Molecular FormulaC13H16BrN7
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2cnn3ccncc23)c1Br
InChIInChI=1S/C13H16BrN7/c1-8-13(14)11(20(2)19-8)5-10(18-15)9-6-17-21-4-3-16-7-12(9)21/h3-4,6-7,10,18H,5,15H2,1-2H3
InChIKeyRJFXCUAXZNYTOX-UHFFFAOYSA-N
XLogP1.28
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129414
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127505
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317823
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
1-pyrazolo[1,5-a]pyrazin-3-ylpent-3-ynylhydrazine
CID 103129490
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-enylhydrazine
CID 103129481
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105317811
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine (CID 103129772) is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine is Cc1nn(C)c(CC(NN)c2cnn3ccncc23)c1Br.
What is the InChIKey of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine?
The InChIKey is RJFXCUAXZNYTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN7/c1-8-13(14)11(20(2)19-8)5-10(18-15)9-6-17-21-4-3-16-7-12(9)21/h3-4,6-7,10,18H,5,15H2,1-2H3.
What are the key properties of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine?
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine has a molecular weight of 350.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine is sourced from PubChem (CID 103129772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).