[6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine

C14H14N6O — CID 116794552

IUPAC[6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine
SMILESCn1cc(Oc2cc(NN)nc(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H14N6O/c1-20-9-11(8-16-20)21-13-7-12(19-15)17-14(18-13)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,17,18,19)
InChIKeyJILPSRSDDWHLIL-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.96
Rot. Bonds4

About [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine

[6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine (PubChem CID 116794552) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine
PubChem CID116794552
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name[6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine
SMILESCn1cc(Oc2cc(NN)nc(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H14N6O/c1-20-9-11(8-16-20)21-13-7-12(19-15)17-14(18-13)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,17,18,19)
InChIKeyJILPSRSDDWHLIL-UHFFFAOYSA-N
XLogP1.96
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.96
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 [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine (CID 116794552) is [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine is Cn1cc(Oc2cc(NN)nc(-c3ccccc3)n2)cn1.
What is the InChIKey of [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine?
The InChIKey is JILPSRSDDWHLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-20-9-11(8-16-20)21-13-7-12(19-15)17-14(18-13)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,17,18,19).
What are the key properties of [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine?
[6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine has a molecular weight of 282.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylpyrazol-4-yl)oxy-2-phenylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116794552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).