[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine

C10H14F3N3O — CID 62440423

IUPAC[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-3-4-16(15-9)6-8-2-1-7(5-14)17-8/h3-4,7-8H,1-2,5-6,14H2
InChIKeyVLJAKIBYJYNBPQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.41
Rot. Bonds3

About [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine

[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine (PubChem CID 62440423) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
PubChem CID62440423
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9-3-4-16(15-9)6-8-2-1-7(5-14)17-8/h3-4,7-8H,1-2,5-6,14H2
InChIKeyVLJAKIBYJYNBPQ-UHFFFAOYSA-N
XLogP1.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine (CID 62440423) is [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine is NCC1CCC(Cn2ccc(C(F)(F)F)n2)O1.
What is the InChIKey of [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
The InChIKey is VLJAKIBYJYNBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)9-3-4-16(15-9)6-8-2-1-7(5-14)17-8/h3-4,7-8H,1-2,5-6,14H2.
What are the key properties of [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine has a molecular weight of 249.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62440423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).