1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine

C12H14FN3O — CID 122505695

IUPAC1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine
SMILESCOCC(N)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-17-8-11(14)9-3-4-12(10(13)7-9)16-6-2-5-15-16/h2-7,11H,8,14H2,1H3
InChIKeyHJIFNMOYKGYGPH-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.66
Rot. Bonds4

About 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine

1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine (PubChem CID 122505695) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine
PubChem CID122505695
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine
SMILESCOCC(N)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-17-8-11(14)9-3-4-12(10(13)7-9)16-6-2-5-15-16/h2-7,11H,8,14H2,1H3
InChIKeyHJIFNMOYKGYGPH-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyrazol-1-YL-benzylamine
CID 2776483
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-methoxy-2-butanamine
CID 16192377
N-methyl-1-[4-(1H-pyrazol-1-yl)phenyl]methanamine
CID 4419849
N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 10924643
N-{1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}tetrahydro-2H-pyran-4-amine
CID 45167612
1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-2-(3-methoxypropyl)piperidine
CID 70718133
2-[4-(1H-pyrazol-1-yl)phenyl]ethanamine
CID 16227506
1-[4-(1H-pyrazol-1-yl)phenyl]ethan-1-amine
CID 16640544
1-[2-(1H-Pyrazol-1-YL)phenyl]ethanamine
CID 43188916
1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethan-1-amine
CID 43188918
3-(4-Fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
CID 155119483
(3-fluoro-4-(1H-pyrazol-1-yl)phenyl)methanol
CID 33789094

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine?
The IUPAC name of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine (CID 122505695) is 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine?
The canonical SMILES for 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine is COCC(N)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine?
The InChIKey is HJIFNMOYKGYGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-17-8-11(14)9-3-4-12(10(13)7-9)16-6-2-5-15-16/h2-7,11H,8,14H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine?
1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine has a molecular weight of 235.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methoxyethanamine is sourced from PubChem (CID 122505695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).