[5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine

C12H15FN4O — CID 126517293

IUPAC[5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine
SMILESCOC(N)c1cc(F)c(-c2c(C)cnn2C)cn1
InChIInChI=1S/C12H15FN4O/c1-7-5-16-17(2)11(7)8-6-15-10(4-9(8)13)12(14)18-3/h4-6,12H,14H2,1-3H3
InChIKeySTYNZFGVOTWPLJ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.53
Rot. Bonds3

About [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine

[5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine (PubChem CID 126517293) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine.

Molecular Properties

Compound Name[5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine
PubChem CID126517293
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name[5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine
SMILESCOC(N)c1cc(F)c(-c2c(C)cnn2C)cn1
InChIInChI=1S/C12H15FN4O/c1-7-5-16-17(2)11(7)8-6-15-10(4-9(8)13)12(14)18-3/h4-6,12H,14H2,1-3H3
InChIKeySTYNZFGVOTWPLJ-UHFFFAOYSA-N
XLogP1.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine?
The IUPAC name of [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine (CID 126517293) is [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine.
What is the SMILES notation for [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine?
The canonical SMILES for [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine is COC(N)c1cc(F)c(-c2c(C)cnn2C)cn1.
What is the InChIKey of [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine?
The InChIKey is STYNZFGVOTWPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7-5-16-17(2)11(7)8-6-15-10(4-9(8)13)12(14)18-3/h4-6,12H,14H2,1-3H3.
What are the key properties of [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine?
[5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine has a molecular weight of 250.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,4-dimethylpyrazol-5-yl)-4-fluoro-2-pyridinyl]-methoxymethanamine is sourced from PubChem (CID 126517293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).