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

C10H11N3O2S — CID 134397398

IUPACethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1nccs1
InChIInChI=1S/C10H11N3O2S/c1-3-15-9(14)8-6-7(2)12-13(8)10-11-4-5-16-10/h4-6H,3H2,1-2H3
InChIKeyHAVLMWLUELUQRQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.81
Rot. Bonds3

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

ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate (PubChem CID 134397398) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate
PubChem CID134397398
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Nameethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1nccs1
InChIInChI=1S/C10H11N3O2S/c1-3-15-9(14)8-6-7(2)12-13(8)10-11-4-5-16-10/h4-6H,3H2,1-2H3
InChIKeyHAVLMWLUELUQRQ-UHFFFAOYSA-N
XLogP1.81
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-3-{[(5-methyl-1,3-thiazol-2-yl)amino]carbonyl}-1H-pyrazole-5-carboxylate
CID 24056935
ethyl 1-methyl-5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate
CID 118609406
methyl 1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxylate
CID 118609435
Methyl 2-(4-bromo-5-propan-2-ylsulfanyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxylate
CID 124108543
5-Methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
CID 134397342
Ethyl 5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylate
CID 134397345
5-Methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
CID 134397399
Methyl 2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate
CID 140306605
Ethane;methanamine;5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxylic acid
CID 142316942
Methyl 5-methyl-2-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate
CID 142463522
Methyl 5-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxylate
CID 142463647
3-(methoxymethyl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 164879819

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate (CID 134397398) is ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C)nn1-c1nccs1.
What is the InChIKey of ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate?
The InChIKey is HAVLMWLUELUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-3-15-9(14)8-6-7(2)12-13(8)10-11-4-5-16-10/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate?
ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(1,3-thiazol-2-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 134397398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).