4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine

C12H11N7 — CID 135744091

IUPAC4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc2cnccc12
InChIInChI=1S/C12H11N7/c13-11-10(12(14)19-18-11)17-16-9-3-1-2-7-6-15-5-4-8(7)9/h1-6H,(H5,13,14,18,19)/b17-16+
InChIKeyBYWFSJHXCNLJEE-WUKNDPDISA-N
MW253.27 g/mol
LogP2.54
Rot. Bonds2

About 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine

4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine (PubChem CID 135744091) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine
PubChem CID135744091
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc2cnccc12
InChIInChI=1S/C12H11N7/c13-11-10(12(14)19-18-11)17-16-9-3-1-2-7-6-15-5-4-8(7)9/h1-6H,(H5,13,14,18,19)/b17-16+
InChIKeyBYWFSJHXCNLJEE-WUKNDPDISA-N
XLogP2.54
TPSA118.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.54
H-Bond Donors ≤ 53
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

4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
ethane;isoquinolin-5-amine
CID 143675367
CID 159683901
CID 159683901
4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744090
4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 1494746
4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135525489
3,8-phenanthroline
CID 13064691
4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
CID 135461015
bis[3-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenyl]methanone
CID 135438535
N-hydroxy-N'-isoquinolin-5-ylmethanimidamide
CID 20763601
2-isoquinolin-5-ylaniline
CID 62812627

Frequently Asked Questions

What is the IUPAC name of 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine (CID 135744091) is 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1cccc2cnccc12.
What is the InChIKey of 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine?
The InChIKey is BYWFSJHXCNLJEE-WUKNDPDISA-N. The full InChI is InChI=1S/C12H11N7/c13-11-10(12(14)19-18-11)17-16-9-3-1-2-7-6-15-5-4-8(7)9/h1-6H,(H5,13,14,18,19)/b17-16+.
What are the key properties of 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine?
4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine has a molecular weight of 253.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135744091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).