2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol

C10H10FN3O — CID 117295558

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
SMILESCn1ncc(-c2ccc(F)cc2O)c1N
InChIInChI=1S/C10H10FN3O/c1-14-10(12)8(5-13-14)7-3-2-6(11)4-9(7)15/h2-5,15H,12H2,1H3
InChIKeyHXRRJGIMWTWQPH-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.51
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol

2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol (PubChem CID 117295558) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
PubChem CID117295558
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
SMILESCn1ncc(-c2ccc(F)cc2O)c1N
InChIInChI=1S/C10H10FN3O/c1-14-10(12)8(5-13-14)7-3-2-6(11)4-9(7)15/h2-5,15H,12H2,1H3
InChIKeyHXRRJGIMWTWQPH-UHFFFAOYSA-N
XLogP1.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol (CID 117295558) is 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol is Cn1ncc(-c2ccc(F)cc2O)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol?
The InChIKey is HXRRJGIMWTWQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-14-10(12)8(5-13-14)7-3-2-6(11)4-9(7)15/h2-5,15H,12H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol?
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol has a molecular weight of 207.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol is sourced from PubChem (CID 117295558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).