4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane

C13H19N3O — CID 144651616

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane
SMILESCC.COc1cc(-n2nc(C)cc2C)ccn1
InChIInChI=1S/C11H13N3O.C2H6/c1-8-6-9(2)14(13-8)10-4-5-12-11(7-10)15-3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyJIMWTUPUPKCIAP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.92
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane

4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane (PubChem CID 144651616) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane
PubChem CID144651616
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane
SMILESCC.COc1cc(-n2nc(C)cc2C)ccn1
InChIInChI=1S/C11H13N3O.C2H6/c1-8-6-9(2)14(13-8)10-4-5-12-11(7-10)15-3;1-2/h4-7H,1-3H3;1-2H3
InChIKeyJIMWTUPUPKCIAP-UHFFFAOYSA-N
XLogP2.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane (CID 144651616) is 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane is CC.COc1cc(-n2nc(C)cc2C)ccn1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane?
The InChIKey is JIMWTUPUPKCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.C2H6/c1-8-6-9(2)14(13-8)10-4-5-12-11(7-10)15-3;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane?
4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane has a molecular weight of 233.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane is sourced from PubChem (CID 144651616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).