N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide

C11H15F3N4O2 — CID 87139829

IUPACN-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CC1(Cn2cc(N)cn2)COC1)C(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-17(9(19)11(12,13)14)4-10(6-20-7-10)5-18-3-8(15)2-16-18/h2-3H,4-7,15H2,1H3
InChIKeyJQESEBYKJAUSJX-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.50
Rot. Bonds4

About N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide

N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 87139829) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID87139829
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CC1(Cn2cc(N)cn2)COC1)C(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N4O2/c1-17(9(19)11(12,13)14)4-10(6-20-7-10)5-18-3-8(15)2-16-18/h2-3H,4-7,15H2,1H3
InChIKeyJQESEBYKJAUSJX-UHFFFAOYSA-N
XLogP0.50
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide (CID 87139829) is N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide is CN(CC1(Cn2cc(N)cn2)COC1)C(=O)C(F)(F)F.
What is the InChIKey of N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is JQESEBYKJAUSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-17(9(19)11(12,13)14)4-10(6-20-7-10)5-18-3-8(15)2-16-18/h2-3H,4-7,15H2,1H3.
What are the key properties of N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 292.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-aminopyrazol-1-yl)methyl]oxetan-3-yl]methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 87139829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).