2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine

C15H20FN3O — CID 117123906

IUPAC2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)c(C(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-10(2)14-13(7-8-17)15(20-3)19(18-14)12-6-4-5-11(16)9-12/h4-6,9-10H,7-8,17H2,1-3H3
InChIKeyFAZCKGBLNHKSCC-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.64
Rot. Bonds5

About 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine

2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine (PubChem CID 117123906) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
PubChem CID117123906
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
SMILESCOc1c(CCN)c(C(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c1-10(2)14-13(7-8-17)15(20-3)19(18-14)12-6-4-5-11(16)9-12/h4-6,9-10H,7-8,17H2,1-3H3
InChIKeyFAZCKGBLNHKSCC-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
2-[1-(3-fluorophenyl)-5-methoxypyrazol-4-yl]ethanamine
CID 83896480
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117124339
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine
CID 117124377
1-(3-fluorophenyl)-3-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82591029
(1S)-1-(3-fluorophenyl)-2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethanol
CID 95149147
2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82290116
3-tert-butyl-1-(3-fluorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 117123975

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine (CID 117123906) is 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine is COc1c(CCN)c(C(C)C)nn1-c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine?
The InChIKey is FAZCKGBLNHKSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(2)14-13(7-8-17)15(20-3)19(18-14)12-6-4-5-11(16)9-12/h4-6,9-10H,7-8,17H2,1-3H3.
What are the key properties of 2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine?
2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.64, 5 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-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 117123906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).