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

C12H15FN4O2 — CID 168935574

IUPAC1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine
SMILESCOCC(c1cc(F)cnc1OC)n1cc(N)cn1
InChIInChI=1S/C12H15FN4O2/c1-18-7-11(17-6-9(14)5-16-17)10-3-8(13)4-15-12(10)19-2/h3-6,11H,7,14H2,1-2H3
InChIKeyDRYBFZWWQRUCKB-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.24
Rot. Bonds5

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

1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine (PubChem CID 168935574) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine
PubChem CID168935574
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine
SMILESCOCC(c1cc(F)cnc1OC)n1cc(N)cn1
InChIInChI=1S/C12H15FN4O2/c1-18-7-11(17-6-9(14)5-16-17)10-3-8(13)4-15-12(10)19-2/h3-6,11H,7,14H2,1-2H3
InChIKeyDRYBFZWWQRUCKB-UHFFFAOYSA-N
XLogP1.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
The IUPAC name of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine (CID 168935574) is 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
The canonical SMILES for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine is COCC(c1cc(F)cnc1OC)n1cc(N)cn1.
What is the InChIKey of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
The InChIKey is DRYBFZWWQRUCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c1-18-7-11(17-6-9(14)5-16-17)10-3-8(13)4-15-12(10)19-2/h3-6,11H,7,14H2,1-2H3.
What are the key properties of 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine?
1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine has a molecular weight of 266.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-amine is sourced from PubChem (CID 168935574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).