ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate

C16H23N3O2Sn — CID 156852721

IUPACethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cc([Sn](C)(C)C)ncc2C)nc1C
InChIInChI=1S/C13H14N3O2.3CH3.Sn/c1-4-18-13(17)11-8-16(15-10(11)3)12-5-6-14-7-9(12)2;;;;/h5,7-8H,4H2,1-3H3;3*1H3;
InChIKeyCYPGPHXGSFNMMD-UHFFFAOYSA-N
MW408.09 g/mol
LogP2.61
Rot. Bonds4

About ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate

ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate (PubChem CID 156852721) has the molecular formula C16H23N3O2Sn and a molecular weight of 408.09 g/mol. Its IUPAC name is ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate
PubChem CID156852721
Molecular FormulaC16H23N3O2Sn
Molecular Weight408.09 g/mol
Exact Mass409.08
IUPAC Nameethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cc([Sn](C)(C)C)ncc2C)nc1C
InChIInChI=1S/C13H14N3O2.3CH3.Sn/c1-4-18-13(17)11-8-16(15-10(11)3)12-5-6-14-7-9(12)2;;;;/h5,7-8H,4H2,1-3H3;3*1H3;
InChIKeyCYPGPHXGSFNMMD-UHFFFAOYSA-N
XLogP2.61
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-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

ethyl 1-(5-bromothiophen-2-yl)-3-methylpyrazole-4-carboxylate
CID 170108334
ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 67167942
propyl 3-methyl-1-pyrimidin-5-ylpyrazole-4-carboxylate
CID 155112594
ethyl 1-[3-(acetyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 141294210
ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 23088347
ethyl 2-(4-formyl-3-methylpyrazol-1-yl)pyridine-3-carboxylate
CID 134954080
ethyl 1-[3-bromo-4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate
CID 163209376
diethyl 6-(4,5-dimethyl-2-pyridinyl)pyridine-3,4-dicarboxylate
CID 122232828
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
CID 45097237
ethyl 1-[4-(difluoromethoxy)-3,5-diphenylphenyl]-3-methylpyrazole-4-carboxylate
CID 155311255
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate (CID 156852721) is ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate is CCOC(=O)c1cn(-c2cc([Sn](C)(C)C)ncc2C)nc1C.
What is the InChIKey of ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate?
The InChIKey is CYPGPHXGSFNMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N3O2.3CH3.Sn/c1-4-18-13(17)11-8-16(15-10(11)3)12-5-6-14-7-9(12)2;;;;/h5,7-8H,4H2,1-3H3;3*1H3;.
What are the key properties of ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate?
ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate has a molecular weight of 408.09 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(5-methyl-2-trimethylstannyl-4-pyridinyl)pyrazole-4-carboxylate is sourced from PubChem (CID 156852721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).