methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate

C13H15N3O3 — CID 137450608

IUPACmethyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2nn(C)c(C)c2C)c1=O
InChIInChI=1S/C13H15N3O3/c1-8-9(2)15(3)14-11(8)16-7-5-6-10(12(16)17)13(18)19-4/h5-7H,1-4H3
InChIKeyCEQRWIIZQCPYFD-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.97
Rot. Bonds2

About methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate

methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate (PubChem CID 137450608) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
PubChem CID137450608
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccn(-c2nn(C)c(C)c2C)c1=O
InChIInChI=1S/C13H15N3O3/c1-8-9(2)15(3)14-11(8)16-7-5-6-10(12(16)17)13(18)19-4/h5-7H,1-4H3
InChIKeyCEQRWIIZQCPYFD-UHFFFAOYSA-N
XLogP0.97
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate 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 methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate (CID 137450608) is methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate is COC(=O)c1cccn(-c2nn(C)c(C)c2C)c1=O.
What is the InChIKey of methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
The InChIKey is CEQRWIIZQCPYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-9(2)15(3)14-11(8)16-7-5-6-10(12(16)17)13(18)19-4/h5-7H,1-4H3.
What are the key properties of methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate?
methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 137450608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).