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

C21H25N3O — CID 118430564

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine
SMILESCCOc1nn(-c2ccc(C(C)C)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H25N3O/c1-5-25-21-19(13-17-9-7-6-8-10-17)16(4)24(23-21)20-12-11-18(14-22-20)15(2)3/h6-12,14-15H,5,13H2,1-4H3
InChIKeyBJRRCWUNFBTJML-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.69
Rot. Bonds6

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

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine (PubChem CID 118430564) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine
PubChem CID118430564
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine
SMILESCCOc1nn(-c2ccc(C(C)C)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H25N3O/c1-5-25-21-19(13-17-9-7-6-8-10-17)16(4)24(23-21)20-12-11-18(14-22-20)15(2)3/h6-12,14-15H,5,13H2,1-4H3
InChIKeyBJRRCWUNFBTJML-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.69
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)-5-propan-2-ylpyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine (CID 118430564) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine is CCOc1nn(-c2ccc(C(C)C)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine?
The InChIKey is BJRRCWUNFBTJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-5-25-21-19(13-17-9-7-6-8-10-17)16(4)24(23-21)20-12-11-18(14-22-20)15(2)3/h6-12,14-15H,5,13H2,1-4H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-propan-2-ylpyridine has a molecular weight of 335.45 g/mol, XLogP of 4.69, 6 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)-5-propan-2-ylpyridine is sourced from PubChem (CID 118430564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).