5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C10H11F3N4O — CID 56918516

IUPAC5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC(F)(F)F)n2nccc2n1
InChIInChI=1S/C10H11F3N4O/c1-18-5-7-4-9(14-6-10(11,12)13)17-8(16-7)2-3-15-17/h2-4,14H,5-6H2,1H3
InChIKeyIEFZVKILPHQSLG-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.85
Rot. Bonds4

About 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56918516) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56918516
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC(F)(F)F)n2nccc2n1
InChIInChI=1S/C10H11F3N4O/c1-18-5-7-4-9(14-6-10(11,12)13)17-8(16-7)2-3-15-17/h2-4,14H,5-6H2,1H3
InChIKeyIEFZVKILPHQSLG-UHFFFAOYSA-N
XLogP1.85
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56918516) is 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCC(F)(F)F)n2nccc2n1.
What is the InChIKey of 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IEFZVKILPHQSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-18-5-7-4-9(14-6-10(11,12)13)17-8(16-7)2-3-15-17/h2-4,14H,5-6H2,1H3.
What are the key properties of 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 260.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56918516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).