methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate

C17H21N3O5 — CID 138048308

IUPACmethyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
SMILESCCn1cc(CCOc2ccc(C(=O)OC)c(CC(=O)OC)n2)cn1
InChIInChI=1S/C17H21N3O5/c1-4-20-11-12(10-18-20)7-8-25-15-6-5-13(17(22)24-3)14(19-15)9-16(21)23-2/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyMDKFANZBBVQDKF-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.42
Rot. Bonds8

About methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate

methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate (PubChem CID 138048308) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
PubChem CID138048308
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Namemethyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
SMILESCCn1cc(CCOc2ccc(C(=O)OC)c(CC(=O)OC)n2)cn1
InChIInChI=1S/C17H21N3O5/c1-4-20-11-12(10-18-20)7-8-25-15-6-5-13(17(22)24-3)14(19-15)9-16(21)23-2/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyMDKFANZBBVQDKF-UHFFFAOYSA-N
XLogP1.42
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
CID 167833497
methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 65171502
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
1-(1-ethylpyrazol-4-yl)-4-phenoxybutan-2-one
CID 62125896
1,4-diethylpyrazole;ethane
CID 143641951
methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
methyl 3,5-dibromo-2-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569354
methyl 4-[[4-(2-hydroxyethyl)pyrazol-1-yl]methyl]benzoate
CID 75512238

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate (CID 138048308) is methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate is CCn1cc(CCOc2ccc(C(=O)OC)c(CC(=O)OC)n2)cn1.
What is the InChIKey of methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
The InChIKey is MDKFANZBBVQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-4-20-11-12(10-18-20)7-8-25-15-6-5-13(17(22)24-3)14(19-15)9-16(21)23-2/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate is sourced from PubChem (CID 138048308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).