3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol

C9H8FN3O2 — CID 117298182

IUPAC3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
SMILESNc1[nH]ncc1-c1ccc(F)c(O)c1O
InChIInChI=1S/C9H8FN3O2/c10-6-2-1-4(7(14)8(6)15)5-3-12-13-9(5)11/h1-3,14-15H,(H3,11,12,13)
InChIKeyGJOHWYBSKYLKIF-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.21
Rot. Bonds1

About 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol

3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol (PubChem CID 117298182) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
PubChem CID117298182
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
SMILESNc1[nH]ncc1-c1ccc(F)c(O)c1O
InChIInChI=1S/C9H8FN3O2/c10-6-2-1-4(7(14)8(6)15)5-3-12-13-9(5)11/h1-3,14-15H,(H3,11,12,13)
InChIKeyGJOHWYBSKYLKIF-UHFFFAOYSA-N
XLogP1.21
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
CID 117432533
6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
CID 117312168
5-(5-amino-1H-pyrazol-4-yl)-1-benzothiophen-4-ol
CID 117334249
5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
CID 117311798
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117319576
2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117378752
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
CID 117348385
2-(5-amino-1H-pyrazol-4-yl)-6-chloro-3,4-difluorophenol
CID 117366441

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol (CID 117298182) is 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol is Nc1[nH]ncc1-c1ccc(F)c(O)c1O.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol?
The InChIKey is GJOHWYBSKYLKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-6-2-1-4(7(14)8(6)15)5-3-12-13-9(5)11/h1-3,14-15H,(H3,11,12,13).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol?
3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol has a molecular weight of 209.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol is sourced from PubChem (CID 117298182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).