N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C10H15F4N3O — CID 103475642

IUPACN-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1ccn(C)n1
InChIInChI=1S/C10H15F4N3O/c1-15-8(7-3-4-17(2)16-7)5-18-6-10(13,14)9(11)12/h3-4,8-9,15H,5-6H2,1-2H3
InChIKeyBVKHNYQAHQAKBA-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.60
Rot. Bonds7

About N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475642) has the molecular formula C10H15F4N3O and a molecular weight of 269.24 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475642
Molecular FormulaC10H15F4N3O
Molecular Weight269.24 g/mol
Exact Mass269.12
IUPAC NameN-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1ccn(C)n1
InChIInChI=1S/C10H15F4N3O/c1-15-8(7-3-4-17(2)16-7)5-18-6-10(13,14)9(11)12/h3-4,8-9,15H,5-6H2,1-2H3
InChIKeyBVKHNYQAHQAKBA-UHFFFAOYSA-N
XLogP1.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475844
N-methyl-1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475583
1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474078
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475633
5,5,5-trifluoro-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
CID 115516928
N,N',N'-trimethyl-1-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103131116
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475278
1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475476
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475580
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475495
4-methoxy-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
CID 103134404
[1-(2-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477564

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475642) is N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)c1ccn(C)n1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is BVKHNYQAHQAKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N3O/c1-15-8(7-3-4-17(2)16-7)5-18-6-10(13,14)9(11)12/h3-4,8-9,15H,5-6H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 269.24 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).