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

C10H12N6O — CID 1494746

IUPAC4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1cccc(/N=N/c2c(N)n[nH]c2N)c1
InChIInChI=1S/C10H12N6O/c1-17-7-4-2-3-6(5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyZWASCGYRHBJNHS-BUHFOSPRSA-N
MW232.25 g/mol
LogP2.00
Rot. Bonds3

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

4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 1494746) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID1494746
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1cccc(/N=N/c2c(N)n[nH]c2N)c1
InChIInChI=1S/C10H12N6O/c1-17-7-4-2-3-6(5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyZWASCGYRHBJNHS-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 1494746) is 4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine is COc1cccc(/N=N/c2c(N)n[nH]c2N)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is ZWASCGYRHBJNHS-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12N6O/c1-17-7-4-2-3-6(5-7)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-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(3-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-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 1494746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).