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

C12H14F2N4O2 — CID 168935893

IUPAC3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine
SMILESCOCC(c1cc(F)cnc1OC)n1cc(N)c(F)n1
InChIInChI=1S/C12H14F2N4O2/c1-19-6-10(18-5-9(15)11(14)17-18)8-3-7(13)4-16-12(8)20-2/h3-5,10H,6,15H2,1-2H3
InChIKeyFVJFYRXBHHVQMW-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.38
Rot. Bonds5

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

3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine (PubChem CID 168935893) has the molecular formula C12H14F2N4O2 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine
PubChem CID168935893
Molecular FormulaC12H14F2N4O2
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine
SMILESCOCC(c1cc(F)cnc1OC)n1cc(N)c(F)n1
InChIInChI=1S/C12H14F2N4O2/c1-19-6-10(18-5-9(15)11(14)17-18)8-3-7(13)4-16-12(8)20-2/h3-5,10H,6,15H2,1-2H3
InChIKeyFVJFYRXBHHVQMW-UHFFFAOYSA-N
XLogP1.38
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
The IUPAC name of 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine (CID 168935893) is 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine.
What is the SMILES notation for 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
The canonical SMILES for 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine is COCC(c1cc(F)cnc1OC)n1cc(N)c(F)n1.
What is the InChIKey of 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
The InChIKey is FVJFYRXBHHVQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O2/c1-19-6-10(18-5-9(15)11(14)17-18)8-3-7(13)4-16-12(8)20-2/h3-5,10H,6,15H2,1-2H3.
What are the key properties of 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine has a molecular weight of 284.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine is sourced from PubChem (CID 168935893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).