N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine

C16H22FN3O — CID 116801654

IUPACN-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1Oc1cnn(CC)c1
InChIInChI=1S/C16H22FN3O/c1-4-9-18-12(3)16-14(17)7-6-8-15(16)21-13-10-19-20(5-2)11-13/h6-8,10-12,18H,4-5,9H2,1-3H3
InChIKeyKARFKENPJOFMPE-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.89
Rot. Bonds7

About N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine

N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine (PubChem CID 116801654) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
PubChem CID116801654
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1Oc1cnn(CC)c1
InChIInChI=1S/C16H22FN3O/c1-4-9-18-12(3)16-14(17)7-6-8-15(16)21-13-10-19-20(5-2)11-13/h6-8,10-12,18H,4-5,9H2,1-3H3
InChIKeyKARFKENPJOFMPE-UHFFFAOYSA-N
XLogP3.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801704
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
N-[1-(2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79517743
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
CID 116792890
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine (CID 116801654) is N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1Oc1cnn(CC)c1.
What is the InChIKey of N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine?
The InChIKey is KARFKENPJOFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-9-18-12(3)16-14(17)7-6-8-15(16)21-13-10-19-20(5-2)11-13/h6-8,10-12,18H,4-5,9H2,1-3H3.
What are the key properties of N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine?
N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 116801654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).