methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate

C12H13N3O4 — CID 168908194

IUPACmethyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(-c2c[nH]n(C)c2=O)c1
InChIInChI=1S/C12H13N3O4/c1-15-11(16)8(6-13-15)9-4-7(12(17)19-3)5-10(14-9)18-2/h4-6,13H,1-3H3
InChIKeyRCOJJWNSWQHSEU-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate

methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate (PubChem CID 168908194) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate
PubChem CID168908194
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Namemethyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(OC)nc(-c2c[nH]n(C)c2=O)c1
InChIInChI=1S/C12H13N3O4/c1-15-11(16)8(6-13-15)9-4-7(12(17)19-3)5-10(14-9)18-2/h4-6,13H,1-3H3
InChIKeyRCOJJWNSWQHSEU-UHFFFAOYSA-N
XLogP0.57
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-(5-hydroxypentyl)-2-[[2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carbonyl]amino]benzimidazole-5-carboxylate
CID 167098133
methyl 2-methoxy-6-propan-2-yloxypyridine-4-carboxylate
CID 18466661
methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate
CID 165437550
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
methyl 7-methoxy-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 822286
methyl 1-methyl-5-oxo-2H-triazole-4-carboxylate
CID 2043162
methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
CID 171697651
methyl 3-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)benzoate
CID 176705539
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
methyl 4-(4,6-dimethoxypyrimidin-2-yl)-3-oxopyrrole-2-carboxylate
CID 140991136
tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
CID 133059070
methyl 2-fluoro-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 139447815

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate (CID 168908194) is methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate is COC(=O)c1cc(OC)nc(-c2c[nH]n(C)c2=O)c1.
What is the InChIKey of methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate?
The InChIKey is RCOJJWNSWQHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-15-11(16)8(6-13-15)9-4-7(12(17)19-3)5-10(14-9)18-2/h4-6,13H,1-3H3.
What are the key properties of methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate?
methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxylate is sourced from PubChem (CID 168908194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).