[6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C10H11F3N6O — CID 106776469

IUPAC[6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)nc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H11F3N6O/c1-5-3-8(19(2)18-5)20-7-4-6(17-14)15-9(16-7)10(11,12)13/h3-4H,14H2,1-2H3,(H,15,16,17)
InChIKeyNKOPUHQARUQDNP-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.62
Rot. Bonds3

About [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776469) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776469
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name[6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2cc(NN)nc(C(F)(F)F)n2)n(C)n1
InChIInChI=1S/C10H11F3N6O/c1-5-3-8(19(2)18-5)20-7-4-6(17-14)15-9(16-7)10(11,12)13/h3-4H,14H2,1-2H3,(H,15,16,17)
InChIKeyNKOPUHQARUQDNP-UHFFFAOYSA-N
XLogP1.62
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.62
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-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776469) is [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is Cc1cc(Oc2cc(NN)nc(C(F)(F)F)n2)n(C)n1.
What is the InChIKey of [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is NKOPUHQARUQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-5-3-8(19(2)18-5)20-7-4-6(17-14)15-9(16-7)10(11,12)13/h3-4H,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 288.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dimethylpyrazol-3-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).