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

C10H11FN6O — CID 135481803

IUPAC4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/N=N/c2c(N)n[nH]c2N)cc1F
InChIInChI=1S/C10H11FN6O/c1-18-7-3-2-5(4-6(7)11)14-15-8-9(12)16-17-10(8)13/h2-4H,1H3,(H5,12,13,16,17)/b15-14+
InChIKeyXHVFVXQBOLDRKP-CCEZHUSRSA-N
MW250.24 g/mol
LogP2.14
Rot. Bonds3

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

4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135481803) has the molecular formula C10H11FN6O and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135481803
Molecular FormulaC10H11FN6O
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/N=N/c2c(N)n[nH]c2N)cc1F
InChIInChI=1S/C10H11FN6O/c1-18-7-3-2-5(4-6(7)11)14-15-8-9(12)16-17-10(8)13/h2-4H,1H3,(H5,12,13,16,17)/b15-14+
InChIKeyXHVFVXQBOLDRKP-CCEZHUSRSA-N
XLogP2.14
TPSA114.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.14
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-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 135481803) is 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine is COc1ccc(/N=N/c2c(N)n[nH]c2N)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is XHVFVXQBOLDRKP-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H11FN6O/c1-18-7-3-2-5(4-6(7)11)14-15-8-9(12)16-17-10(8)13/h2-4H,1H3,(H5,12,13,16,17)/b15-14+.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 250.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135481803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).