1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine

C16H22FN3O — CID 107701248

IUPAC1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCc1cnn(CC)c1
InChIInChI=1S/C16H22FN3O/c1-3-15(18)8-13-7-14(17)5-6-16(13)21-11-12-9-19-20(4-2)10-12/h5-7,9-10,15H,3-4,8,11,18H2,1-2H3
InChIKeyUAASENVBTQUUQG-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.90
Rot. Bonds7

About 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine

1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine (PubChem CID 107701248) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
PubChem CID107701248
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCc1cnn(CC)c1
InChIInChI=1S/C16H22FN3O/c1-3-15(18)8-13-7-14(17)5-6-16(13)21-11-12-9-19-20(4-2)10-12/h5-7,9-10,15H,3-4,8,11,18H2,1-2H3
InChIKeyUAASENVBTQUUQG-UHFFFAOYSA-N
XLogP2.90
TPSA53.07 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958814
1-[3-[(1-ethylpyrazol-4-yl)methoxy]-6-methyl-2-pyridinyl]butan-2-amine
CID 79164910
1-[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]propan-2-amine
CID 116804168
1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 63050307
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
4-[(1-ethylpyrazol-4-yl)methoxy]-2,5-difluoroaniline
CID 63600050
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 107701306
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
2-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 62126855
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701409

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine (CID 107701248) is 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1OCc1cnn(CC)c1.
What is the InChIKey of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
The InChIKey is UAASENVBTQUUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-3-15(18)8-13-7-14(17)5-6-16(13)21-11-12-9-19-20(4-2)10-12/h5-7,9-10,15H,3-4,8,11,18H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine?
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.90, 7 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)methoxy]-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 107701248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).