[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine

C8H6F4N6 — CID 80899957

IUPAC[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H6F4N6/c9-4-3-14-7(16-13)15-6(4)18-2-1-5(17-18)8(10,11)12/h1-3H,13H2,(H,14,15,16)
InChIKeyGEZMXHZFSXOLRB-UHFFFAOYSA-N
MW262.17 g/mol
LogP1.11
Rot. Bonds2

About [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine

[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine (PubChem CID 80899957) has the molecular formula C8H6F4N6 and a molecular weight of 262.17 g/mol. Its IUPAC name is [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
PubChem CID80899957
Molecular FormulaC8H6F4N6
Molecular Weight262.17 g/mol
Exact Mass262.06
IUPAC Name[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H6F4N6/c9-4-3-14-7(16-13)15-6(4)18-2-1-5(17-18)8(10,11)12/h1-3H,13H2,(H,14,15,16)
InChIKeyGEZMXHZFSXOLRB-UHFFFAOYSA-N
XLogP1.11
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine (CID 80899957) is [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine is NNc1ncc(F)c(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The InChIKey is GEZMXHZFSXOLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N6/c9-4-3-14-7(16-13)15-6(4)18-2-1-5(17-18)8(10,11)12/h1-3H,13H2,(H,14,15,16).
What are the key properties of [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine has a molecular weight of 262.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80899957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).