2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine

C19H21N3O — CID 118430457

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine
SMILESCCOc1nn(-c2cc(C)ccn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-4-23-19-17(13-16-8-6-5-7-9-16)15(3)22(21-19)18-12-14(2)10-11-20-18/h5-12H,4,13H2,1-3H3
InChIKeyBUBOKZQIFDSLNR-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.87
Rot. Bonds5

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine (PubChem CID 118430457) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine
PubChem CID118430457
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine
SMILESCCOc1nn(-c2cc(C)ccn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c1-4-23-19-17(13-16-8-6-5-7-9-16)15(3)22(21-19)18-12-14(2)10-11-20-18/h5-12H,4,13H2,1-3H3
InChIKeyBUBOKZQIFDSLNR-UHFFFAOYSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine (CID 118430457) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine is CCOc1nn(-c2cc(C)ccn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine?
The InChIKey is BUBOKZQIFDSLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-23-19-17(13-16-8-6-5-7-9-16)15(3)22(21-19)18-12-14(2)10-11-20-18/h5-12H,4,13H2,1-3H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine has a molecular weight of 307.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine is sourced from PubChem (CID 118430457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).