N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C10H11F3N4O — CID 113296719

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)COCCNc1ccn2nccc2n1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-18-6-4-14-8-2-5-17-9(16-8)1-3-15-17/h1-3,5H,4,6-7H2,(H,14,16)
InChIKeyLEHUZEKCBSHZHS-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 113296719) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID113296719
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESFC(F)(F)COCCNc1ccn2nccc2n1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-18-6-4-14-8-2-5-17-9(16-8)1-3-15-17/h1-3,5H,4,6-7H2,(H,14,16)
InChIKeyLEHUZEKCBSHZHS-UHFFFAOYSA-N
XLogP1.72
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
2,2-Dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol
CID 49795432
5-Morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142009
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 75398512
US20240174647, Example 115
CID 171597876
2-[[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 134863245
2-[(6-Pyrazol-1-ylpyrimidin-4-yl)amino]ethanol
CID 2218330
5-chloro-N-(2-ethoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134792062
5-chloro-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134794405
5-chloro-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 134795552
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrimidin-2-amine
CID 72904896

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 113296719) is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is FC(F)(F)COCCNc1ccn2nccc2n1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is LEHUZEKCBSHZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7-18-6-4-14-8-2-5-17-9(16-8)1-3-15-17/h1-3,5H,4,6-7H2,(H,14,16).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 260.22 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 113296719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).