3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

C11H19F2N3O2 — CID 103149365

IUPAC3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1c(OC)cnn1C
InChIInChI=1S/C11H19F2N3O2/c1-14-8(4-5-18-7-10(12)13)11-9(17-3)6-15-16(11)2/h6,8,10,14H,4-5,7H2,1-3H3
InChIKeyFZYKJODQYAGGTN-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.36
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (PubChem CID 103149365) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
PubChem CID103149365
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1c(OC)cnn1C
InChIInChI=1S/C11H19F2N3O2/c1-14-8(4-5-18-7-10(12)13)11-9(17-3)6-15-16(11)2/h6,8,10,14H,4-5,7H2,1-3H3
InChIKeyFZYKJODQYAGGTN-UHFFFAOYSA-N
XLogP1.36
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.36
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

4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
[3-ethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propyl]hydrazine
CID 105339146
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
[2-ethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105235358
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
2,2,2-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105047293
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103216140

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (CID 103149365) is 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is CNC(CCOCC(F)F)c1c(OC)cnn1C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is FZYKJODQYAGGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-14-8(4-5-18-7-10(12)13)11-9(17-3)6-15-16(11)2/h6,8,10,14H,4-5,7H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 263.29 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103149365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).