ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate

C15H19N3O2 — CID 59946948

IUPACethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2nc(C)c(C)cc2C)nn1C
InChIInChI=1S/C15H19N3O2/c1-6-20-15(19)13-8-12(17-18(13)5)14-10(3)7-9(2)11(4)16-14/h7-8H,6H2,1-5H3
InChIKeyOAXNZZWXCREPHF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.58
Rot. Bonds3

About ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate

ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 59946948) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID59946948
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2nc(C)c(C)cc2C)nn1C
InChIInChI=1S/C15H19N3O2/c1-6-20-15(19)13-8-12(17-18(13)5)14-10(3)7-9(2)11(4)16-14/h7-8H,6H2,1-5H3
InChIKeyOAXNZZWXCREPHF-UHFFFAOYSA-N
XLogP2.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-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

ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
CID 170337369
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
ethyl 3-(dimethylamino)-1-methylpyrazole-5-carboxylate
CID 14049154
ethyl 3-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-1-methylpyrazole-5-carboxylate
CID 66633572
ethyl 3-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218066
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
ethyl 3-(2-bromoprop-2-enoylamino)-1-methylpyrazole-5-carboxylate
CID 54181653
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate (CID 59946948) is ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2nc(C)c(C)cc2C)nn1C.
What is the InChIKey of ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is OAXNZZWXCREPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-6-20-15(19)13-8-12(17-18(13)5)14-10(3)7-9(2)11(4)16-14/h7-8H,6H2,1-5H3.
What are the key properties of ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate?
ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 59946948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).