3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine

C11H13N3O — CID 166436066

IUPAC3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
SMILESCOc1ccncc1-c1cn(C)nc1C
InChIInChI=1S/C11H13N3O/c1-8-10(7-14(2)13-8)9-6-12-5-4-11(9)15-3/h4-7H,1-3H3
InChIKeyAYJFIALUUHIPOY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.80
Rot. Bonds2

About 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine

3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine (PubChem CID 166436066) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
PubChem CID166436066
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine
SMILESCOc1ccncc1-c1cn(C)nc1C
InChIInChI=1S/C11H13N3O/c1-8-10(7-14(2)13-8)9-6-12-5-4-11(9)15-3/h4-7H,1-3H3
InChIKeyAYJFIALUUHIPOY-UHFFFAOYSA-N
XLogP1.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine (CID 166436066) is 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine is COc1ccncc1-c1cn(C)nc1C.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
The InChIKey is AYJFIALUUHIPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-10(7-14(2)13-8)9-6-12-5-4-11(9)15-3/h4-7H,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine?
3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine has a molecular weight of 203.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-4-methoxypyridine is sourced from PubChem (CID 166436066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).