2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine

C12H14FN3O — CID 83896480

IUPAC2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-17-12-9(5-6-14)8-15-16(12)11-4-2-3-10(13)7-11/h2-4,7-8H,5-6,14H2,1H3
InChIKeyZSJOEFJBYNTHHK-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.52
Rot. Bonds4

About 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine

2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine (PubChem CID 83896480) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine
PubChem CID83896480
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)cnn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-17-12-9(5-6-14)8-15-16(12)11-4-2-3-10(13)7-11/h2-4,7-8H,5-6,14H2,1H3
InChIKeyZSJOEFJBYNTHHK-UHFFFAOYSA-N
XLogP1.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069042
2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82290116
2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
CID 117123906
2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol
CID 115069018
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
2-[1-(3-chlorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069043
5-bromo-1-(3-fluorophenyl)pyrazol-4-amine
CID 115047672
4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
CID 66437510
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine (CID 83896480) is 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine is COc1c(CCN)cnn1-c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine?
The InChIKey is ZSJOEFJBYNTHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-17-12-9(5-6-14)8-15-16(12)11-4-2-3-10(13)7-11/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine?
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine has a molecular weight of 235.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine is sourced from PubChem (CID 83896480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).