1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine

C14H18FN3O — CID 116804168

IUPAC1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
SMILESCCn1cc(Oc2ccc(F)cc2CC(C)N)cn1
InChIInChI=1S/C14H18FN3O/c1-3-18-9-13(8-17-18)19-14-5-4-12(15)7-11(14)6-10(2)16/h4-5,7-10H,3,6,16H2,1-2H3
InChIKeyVUFOUERURFXOOE-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.72
Rot. Bonds5

About 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine

1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine (PubChem CID 116804168) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
PubChem CID116804168
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
SMILESCCn1cc(Oc2ccc(F)cc2CC(C)N)cn1
InChIInChI=1S/C14H18FN3O/c1-3-18-9-13(8-17-18)19-14-5-4-12(15)7-11(14)6-10(2)16/h4-5,7-10H,3,6,16H2,1-2H3
InChIKeyVUFOUERURFXOOE-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 116802111
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701248
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine (CID 116804168) is 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine is CCn1cc(Oc2ccc(F)cc2CC(C)N)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine?
The InChIKey is VUFOUERURFXOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-18-9-13(8-17-18)19-14-5-4-12(15)7-11(14)6-10(2)16/h4-5,7-10H,3,6,16H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine?
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 116804168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).