[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C11H13F3N6O — CID 106776489

IUPAC[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)n1cc(Oc2cc(NN)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H13F3N6O/c1-6(2)20-5-7(4-16-20)21-9-3-8(19-15)17-10(18-9)11(12,13)14/h3-6H,15H2,1-2H3,(H,17,18,19)
InChIKeyGWYRDSGYRAOGSF-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.35
Rot. Bonds4

About [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776489) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776489
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)n1cc(Oc2cc(NN)nc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H13F3N6O/c1-6(2)20-5-7(4-16-20)21-9-3-8(19-15)17-10(18-9)11(12,13)14/h3-6H,15H2,1-2H3,(H,17,18,19)
InChIKeyGWYRDSGYRAOGSF-UHFFFAOYSA-N
XLogP2.35
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.35
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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Related Compounds

[2-(ethoxymethyl)-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806923
6-(1-propan-2-ylpyrazol-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102720115
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
N-methyl-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774804
[2-tert-butyl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806890
[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776501
3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800544
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine
CID 116806928

Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776489) is [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC(C)n1cc(Oc2cc(NN)nc(C(F)(F)F)n2)cn1.
What is the InChIKey of [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is GWYRDSGYRAOGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-6(2)20-5-7(4-16-20)21-9-3-8(19-15)17-10(18-9)11(12,13)14/h3-6H,15H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 302.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).