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

C11H13FN4O — CID 68876782

IUPAC5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine
SMILESCOc1cc(CCc2cc(N)n[nH]2)c(F)cn1
InChIInChI=1S/C11H13FN4O/c1-17-11-4-7(9(12)6-14-11)2-3-8-5-10(13)16-15-8/h4-6H,2-3H2,1H3,(H3,13,15,16)
InChIKeyLAFPDGUVXFPIER-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.32
Rot. Bonds4

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

5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine (PubChem CID 68876782) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine
PubChem CID68876782
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine
SMILESCOc1cc(CCc2cc(N)n[nH]2)c(F)cn1
InChIInChI=1S/C11H13FN4O/c1-17-11-4-7(9(12)6-14-11)2-3-8-5-10(13)16-15-8/h4-6H,2-3H2,1H3,(H3,13,15,16)
InChIKeyLAFPDGUVXFPIER-UHFFFAOYSA-N
XLogP1.32
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine (CID 68876782) is 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine is COc1cc(CCc2cc(N)n[nH]2)c(F)cn1.
What is the InChIKey of 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is LAFPDGUVXFPIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-17-11-4-7(9(12)6-14-11)2-3-8-5-10(13)16-15-8/h4-6H,2-3H2,1H3,(H3,13,15,16).
What are the key properties of 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine?
5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 236.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 68876782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).