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

C21H23N3O — CID 118430667

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-25-21-19(13-16-7-5-4-6-8-16)15(2)24(23-21)20-12-11-18(14-22-20)17-9-10-17/h4-8,11-12,14,17H,3,9-10,13H2,1-2H3
InChIKeyQAMQWBGVNDUKNK-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.44
Rot. Bonds6

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

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine (PubChem CID 118430667) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine
PubChem CID118430667
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-25-21-19(13-16-7-5-4-6-8-16)15(2)24(23-21)20-12-11-18(14-22-20)17-9-10-17/h4-8,11-12,14,17H,3,9-10,13H2,1-2H3
InChIKeyQAMQWBGVNDUKNK-UHFFFAOYSA-N
XLogP4.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine (CID 118430667) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine is CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine?
The InChIKey is QAMQWBGVNDUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-25-21-19(13-16-7-5-4-6-8-16)15(2)24(23-21)20-12-11-18(14-22-20)17-9-10-17/h4-8,11-12,14,17H,3,9-10,13H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyridine has a molecular weight of 333.44 g/mol, XLogP of 4.44, 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-cyclopropylpyridine is sourced from PubChem (CID 118430667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).