2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H15F3N4 — CID 56890277

IUPAC2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCC(F)(F)F)n2nc(C)cc2n1
InChIInChI=1S/C12H15F3N4/c1-8-6-10(16-5-3-4-12(13,14)15)19-11(17-8)7-9(2)18-19/h6-7,16H,3-5H2,1-2H3
InChIKeyYKAGPCZJOQSTIY-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.10
Rot. Bonds4

About 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56890277) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56890277
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCC(F)(F)F)n2nc(C)cc2n1
InChIInChI=1S/C12H15F3N4/c1-8-6-10(16-5-3-4-12(13,14)15)19-11(17-8)7-9(2)18-19/h6-7,16H,3-5H2,1-2H3
InChIKeyYKAGPCZJOQSTIY-UHFFFAOYSA-N
XLogP3.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56890277) is 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCC(F)(F)F)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YKAGPCZJOQSTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-8-6-10(16-5-3-4-12(13,14)15)19-11(17-8)7-9(2)18-19/h6-7,16H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 272.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56890277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).