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

C11H16F3N3O — CID 55073137

IUPACN-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C11H16F3N3O/c1-15-6-8-2-3-9(18-8)7-17-5-4-10(16-17)11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyQOBDDEKMFNMBGF-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.67
Rot. Bonds4

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

N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine (PubChem CID 55073137) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
PubChem CID55073137
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
SMILESCNCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C11H16F3N3O/c1-15-6-8-2-3-9(18-8)7-17-5-4-10(16-17)11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyQOBDDEKMFNMBGF-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine (CID 55073137) is N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine is CNCC1CCC(Cn2ccc(C(F)(F)F)n2)O1.
What is the InChIKey of N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
The InChIKey is QOBDDEKMFNMBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-15-6-8-2-3-9(18-8)7-17-5-4-10(16-17)11(12,13)14/h4-5,8-9,15H,2-3,6-7H2,1H3.
What are the key properties of N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine?
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 55073137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).