4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine

C10H12N6O — CID 535907

IUPAC4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccccc1/N=N/c1c(N)n[nH]c1N
InChIInChI=1S/C10H12N6O/c1-17-7-5-3-2-4-6(7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyPUIMJBUPNUIAJP-BUHFOSPRSA-N
MW232.25 g/mol
LogP2.00
Rot. Bonds3

About 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 535907) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID535907
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccccc1/N=N/c1c(N)n[nH]c1N
InChIInChI=1S/C10H12N6O/c1-17-7-5-3-2-4-6(7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyPUIMJBUPNUIAJP-BUHFOSPRSA-N
XLogP2.00
TPSA114.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.00
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-[(4-Methoxyphenyl)hydrazono]-4h-pyrazole-3,5-diamine
CID 228619
3,5-Dimethyl-4-[(4-methoxyphenyl)di azenyl]-1h-pyrazole
CID 4328250
2-(4-Ethoxyphenyl)-1,2,4,5-tetrahydropyrazolo[3,4-d][1,2,3]triazol-6-amine
CID 1237001
2-(4-Methoxyphenyl)-1,2,4,5-tetrahydropyrazolo[3,4-d][1,2,3]triazol-6-amine
CID 5142024
4-[(E)-(2-methoxyphenyl)diazenyl]-3,5-dimethyl-1H-pyrazole
CID 3755400
6-[2-(3,5-Diamino-1H-pyrazol-4-yl)hydrazinylidene]cyclohexa-2,4-dien-1-one
CID 135461165
2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-3-fluorophenol
CID 162739696
2-(3-methoxyphenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
CID 1278817
3,5-Diamino-4-[(3-Methoxyphenyl)Hydrazono]Pyrazole
CID 1494746
4-[[4-chloro-2-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
CID 135399676
4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
CID 135409291
3,5-Diamino-4-[(3-Fluoro-4-Methoxyphenyl)Hydrazono]Pyrazole
CID 135481803

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 535907) is 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine is COc1ccccc1/N=N/c1c(N)n[nH]c1N.
What is the InChIKey of 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is PUIMJBUPNUIAJP-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12N6O/c1-17-7-5-3-2-4-6(7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+.
What are the key properties of 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 535907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).