ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate

C12H15N3O2S — CID 58127493

IUPACethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc(CC)cs2)c1C
InChIInChI=1S/C12H15N3O2S/c1-4-9-7-18-12(14-9)15-8(3)10(6-13-15)11(16)17-5-2/h6-7H,4-5H2,1-3H3
InChIKeyHGIIRAGWIZYYSS-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.38
Rot. Bonds4

About ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate

ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate (PubChem CID 58127493) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate
PubChem CID58127493
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Nameethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc(CC)cs2)c1C
InChIInChI=1S/C12H15N3O2S/c1-4-9-7-18-12(14-9)15-8(3)10(6-13-15)11(16)17-5-2/h6-7H,4-5H2,1-3H3
InChIKeyHGIIRAGWIZYYSS-UHFFFAOYSA-N
XLogP2.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-1-[4-[(E)-2-(3-methylphenyl)ethenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 58127905
ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 4140110
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 1-[5-(hydroxymethyl)-2-pyridinyl]-5-methylpyrazole-4-carboxylate
CID 86692597
1-[4-[(3-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]-5-methylpyrazole-4-carboxylic acid
CID 58127739
1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 62961208
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868
ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate
CID 22267610
ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 2805607
ethyl 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 3837157
ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate
CID 2741473
ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate
CID 55258068

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate (CID 58127493) is ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2nc(CC)cs2)c1C.
What is the InChIKey of ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate?
The InChIKey is HGIIRAGWIZYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-9-7-18-12(14-9)15-8(3)10(6-13-15)11(16)17-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate?
ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate has a molecular weight of 265.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 58127493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).