[4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine

C9H11FN6O — CID 81345794

IUPAC[4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2nc(NN)ncc2F)n(C)n1
InChIInChI=1S/C9H11FN6O/c1-5-3-7(16(2)15-5)17-8-6(10)4-12-9(13-8)14-11/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyQAAPOCHDZHZSTG-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.74
Rot. Bonds3

About [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine

[4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 81345794) has the molecular formula C9H11FN6O and a molecular weight of 238.23 g/mol. Its IUPAC name is [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID81345794
Molecular FormulaC9H11FN6O
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Name[4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2nc(NN)ncc2F)n(C)n1
InChIInChI=1S/C9H11FN6O/c1-5-3-7(16(2)15-5)17-8-6(10)4-12-9(13-8)14-11/h3-4H,11H2,1-2H3,(H,12,13,14)
InChIKeyQAAPOCHDZHZSTG-UHFFFAOYSA-N
XLogP0.74
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine (CID 81345794) is [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine is Cc1cc(Oc2nc(NN)ncc2F)n(C)n1.
What is the InChIKey of [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is QAAPOCHDZHZSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN6O/c1-5-3-7(16(2)15-5)17-8-6(10)4-12-9(13-8)14-11/h3-4H,11H2,1-2H3,(H,12,13,14).
What are the key properties of [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine?
[4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 238.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 81345794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).