methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate

C20H21N3O3 — CID 122180738

IUPACmethyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCCOc1nn(-c2ccc(C(=O)OC)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-4-26-19-17(12-15-8-6-5-7-9-15)14(2)23(22-19)18-11-10-16(13-21-18)20(24)25-3/h5-11,13H,4,12H2,1-3H3
InChIKeyQPBNFRGRNFHPLK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.35
Rot. Bonds6

About methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate

methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate (PubChem CID 122180738) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate
PubChem CID122180738
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Namemethyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate
SMILESCCOc1nn(-c2ccc(C(=O)OC)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-4-26-19-17(12-15-8-6-5-7-9-15)14(2)23(22-19)18-11-10-16(13-21-18)20(24)25-3/h5-11,13H,4,12H2,1-3H3
InChIKeyQPBNFRGRNFHPLK-UHFFFAOYSA-N
XLogP3.35
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate (CID 122180738) is methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate is CCOc1nn(-c2ccc(C(=O)OC)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate?
The InChIKey is QPBNFRGRNFHPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-26-19-17(12-15-8-6-5-7-9-15)14(2)23(22-19)18-11-10-16(13-21-18)20(24)25-3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate?
methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 122180738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).