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

C10H11FN4O2 — CID 68875147

IUPAC3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine
SMILESCOc1cc(COc2cc(N)[nH]n2)c(F)cn1
InChIInChI=1S/C10H11FN4O2/c1-16-9-2-6(7(11)4-13-9)5-17-10-3-8(12)14-15-10/h2-4H,5H2,1H3,(H3,12,14,15)
InChIKeyKSYUSRGREGIIJA-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.11
Rot. Bonds4

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

3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine (PubChem CID 68875147) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine
PubChem CID68875147
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine
SMILESCOc1cc(COc2cc(N)[nH]n2)c(F)cn1
InChIInChI=1S/C10H11FN4O2/c1-16-9-2-6(7(11)4-13-9)5-17-10-3-8(12)14-15-10/h2-4H,5H2,1H3,(H3,12,14,15)
InChIKeyKSYUSRGREGIIJA-UHFFFAOYSA-N
XLogP1.11
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine?
The IUPAC name of 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine (CID 68875147) is 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine.
What is the SMILES notation for 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine?
The canonical SMILES for 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine is COc1cc(COc2cc(N)[nH]n2)c(F)cn1.
What is the InChIKey of 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine?
The InChIKey is KSYUSRGREGIIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c1-16-9-2-6(7(11)4-13-9)5-17-10-3-8(12)14-15-10/h2-4H,5H2,1H3,(H3,12,14,15).
What are the key properties of 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine?
3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine has a molecular weight of 238.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxy-4-pyridinyl)methoxy]-1H-pyrazol-5-amine is sourced from PubChem (CID 68875147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).