ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate

C11H14N4O2S — CID 82590106

IUPACethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2nc(C)cs2)c(N)c1C
InChIInChI=1S/C11H14N4O2S/c1-4-17-10(16)8-7(3)9(12)15(14-8)11-13-6(2)5-18-11/h5H,4,12H2,1-3H3
InChIKeyHLMFEFABMVJWLM-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.70
Rot. Bonds3

About ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate

ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate (PubChem CID 82590106) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate
PubChem CID82590106
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2nc(C)cs2)c(N)c1C
InChIInChI=1S/C11H14N4O2S/c1-4-17-10(16)8-7(3)9(12)15(14-8)11-13-6(2)5-18-11/h5H,4,12H2,1-3H3
InChIKeyHLMFEFABMVJWLM-UHFFFAOYSA-N
XLogP1.70
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(4-methyl-1,3-thiazol-2-yl)-5-sulfanylimidazole-4-carboxylate
CID 14516778
ethyl 5-amino-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxylate
CID 63240207
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate
CID 17038813
ethyl 5-acetyl-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylate
CID 851059
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-amino-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxylate
CID 4140110
ethyl 1-(4-ethyl-1,3-thiazol-2-yl)-5-methylpyrazole-4-carboxylate
CID 58127493
ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645921
ethyl 1-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 166276615
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
ethyl 5-amino-1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645910

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate (CID 82590106) is ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2nc(C)cs2)c(N)c1C.
What is the InChIKey of ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate?
The InChIKey is HLMFEFABMVJWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-4-17-10(16)8-7(3)9(12)15(14-8)11-13-6(2)5-18-11/h5H,4,12H2,1-3H3.
What are the key properties of ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate?
ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate has a molecular weight of 266.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 82590106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).