methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate

C14H15N3O5 — CID 167754522

IUPACmethyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCc1ncccc1C(=O)OC
InChIInChI=1S/C14H15N3O5/c1-3-21-14(19)10-7-16-17-12(10)22-8-11-9(13(18)20-2)5-4-6-15-11/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyVCIOWDFGTPOBQB-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.35
Rot. Bonds6

About methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate

methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate (PubChem CID 167754522) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
PubChem CID167754522
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Namemethyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cn[nH]c1OCc1ncccc1C(=O)OC
InChIInChI=1S/C14H15N3O5/c1-3-21-14(19)10-7-16-17-12(10)22-8-11-9(13(18)20-2)5-4-6-15-11/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyVCIOWDFGTPOBQB-UHFFFAOYSA-N
XLogP1.35
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxylate
CID 167977991
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
CID 165436337
ethyl 2-(3-aminopropyl)pyridine-3-carboxylate
CID 70281941
methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
CID 153494128
ethyl 5-(1-phenylethoxy)-1H-pyrazole-4-carboxylate
CID 167750622
ethyl 5-[(1-cyclopentylpyrazol-3-yl)methoxy]-1H-pyrazole-4-carboxylate
CID 167988724
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
methyl 2-methylpyridine-3-carboxylate
CID 7015327
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate (CID 167754522) is methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate is CCOC(=O)c1cn[nH]c1OCc1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate?
The InChIKey is VCIOWDFGTPOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-3-21-14(19)10-7-16-17-12(10)22-8-11-9(13(18)20-2)5-4-6-15-11/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate?
methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate has a molecular weight of 305.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)oxymethyl]pyridine-3-carboxylate is sourced from PubChem (CID 167754522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).