[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine

C11H14F3N5 — CID 2780660

IUPAC[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCC(C)(C)c1cc2nc(C(F)(F)F)cc(NN)n2n1
InChIInChI=1S/C11H14F3N5/c1-10(2,3)6-4-8-16-7(11(12,13)14)5-9(17-15)19(8)18-6/h4-5,17H,15H2,1-3H3
InChIKeyOWFFAVVLMMHFPK-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.33
Rot. Bonds1

About [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine

[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (PubChem CID 2780660) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
PubChem CID2780660
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCC(C)(C)c1cc2nc(C(F)(F)F)cc(NN)n2n1
InChIInChI=1S/C11H14F3N5/c1-10(2,3)6-4-8-16-7(11(12,13)14)5-9(17-15)19(8)18-6/h4-5,17H,15H2,1-3H3
InChIKeyOWFFAVVLMMHFPK-UHFFFAOYSA-N
XLogP2.33
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 28063903
2,5-Di-tert-butylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2060523
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
7-(Tert-butyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-2,4-diimine
CID 2801306
7-(Tert-butyl)-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819103
2,5-Dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753093
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821672
3-Bromo-2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819672
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
5-Tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2971734
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 2821857

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The IUPAC name of [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (CID 2780660) is [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is CC(C)(C)c1cc2nc(C(F)(F)F)cc(NN)n2n1.
What is the InChIKey of [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The InChIKey is OWFFAVVLMMHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-10(2,3)6-4-8-16-7(11(12,13)14)5-9(17-15)19(8)18-6/h4-5,17H,15H2,1-3H3.
What are the key properties of [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine has a molecular weight of 273.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is sourced from PubChem (CID 2780660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).