ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C11H13N3O2S — CID 101384710

IUPACethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(SC)nn2ccc(C)nc12
InChIInChI=1S/C11H13N3O2S/c1-4-16-11(15)8-9-12-7(2)5-6-14(9)13-10(8)17-3/h5-6H,4H2,1-3H3
InChIKeyHVBSGLOIQJHONF-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.94
Rot. Bonds3

About ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 101384710) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID101384710
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Nameethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(SC)nn2ccc(C)nc12
InChIInChI=1S/C11H13N3O2S/c1-4-16-11(15)8-9-12-7(2)5-6-14(9)13-10(8)17-3/h5-6H,4H2,1-3H3
InChIKeyHVBSGLOIQJHONF-UHFFFAOYSA-N
XLogP1.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-cyano-2-methylsulfanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 14268754
ethyl 5-amino-7-methylsulfanyl-3-phenyl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
CID 10019461
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 5-amino-7-methylsulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylate
CID 10402249
ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129097584
4-(5-amino-4-ethoxycarbonyl-3-methylsulfanylpyrazole-1-carbonyl)-N-hydroxybenzeneamine oxide
CID 163180238
ethyl 5-amino-3-methylsulfanyl-1-(phenylcarbamothioyl)pyrazole-4-carboxylate
CID 3350129
ethyl 5-amino-1-(5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonyl)-3-methylsulfanylpyrazole-4-carboxylate
CID 16750657
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 121232268
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 101384710) is ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(SC)nn2ccc(C)nc12.
What is the InChIKey of ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is HVBSGLOIQJHONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-16-11(15)8-9-12-7(2)5-6-14(9)13-10(8)17-3/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 1.94, 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-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 101384710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).