3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine

C11H12F2N4O — CID 168935703

IUPAC3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine
SMILESCOc1ncc(F)cc1[C@H](C)n1cc(N)c(F)n1
InChIInChI=1S/C11H12F2N4O/c1-6(17-5-9(14)10(13)16-17)8-3-7(12)4-15-11(8)18-2/h3-6H,14H2,1-2H3/t6-/m0/s1
InChIKeyXIXBYFHNQHZOBF-LURJTMIESA-N
MW254.24 g/mol
LogP1.76
Rot. Bonds3

About 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine

3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine (PubChem CID 168935703) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine
PubChem CID168935703
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine
SMILESCOc1ncc(F)cc1[C@H](C)n1cc(N)c(F)n1
InChIInChI=1S/C11H12F2N4O/c1-6(17-5-9(14)10(13)16-17)8-3-7(12)4-15-11(8)18-2/h3-6H,14H2,1-2H3/t6-/m0/s1
InChIKeyXIXBYFHNQHZOBF-LURJTMIESA-N
XLogP1.76
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-3-[(1S)-1-(3-fluoropyrazol-1-yl)ethyl]-2-methoxypyridine
CID 168936172
1-[1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]triazole-4-carboxylic acid
CID 168936037
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl] acetate
CID 168936041
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 168935844
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
CID 147248052
1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl diphenyl phosphate
CID 168936093
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
1-(2-bromo-5-fluoro-3-pyridinyl)ethanamine
CID 133059607
N-amino-N-(5-fluoro-2-methoxy-3-pyridinyl)hydroxylamine
CID 164593678
6-fluoro-1-methoxyisoquinolin-4-amine
CID 84663819
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine?
The IUPAC name of 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine (CID 168935703) is 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine is COc1ncc(F)cc1[C@H](C)n1cc(N)c(F)n1.
What is the InChIKey of 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine?
The InChIKey is XIXBYFHNQHZOBF-LURJTMIESA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-6(17-5-9(14)10(13)16-17)8-3-7(12)4-15-11(8)18-2/h3-6H,14H2,1-2H3/t6-/m0/s1.
What are the key properties of 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine?
3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine has a molecular weight of 254.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 168935703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).