ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H13N3O2S — CID 2736452

IUPACethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3cccs3)nn2c1C
InChIInChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-15-13-7-11(12-5-4-6-20-12)16-17(13)9(10)2/h4-8H,3H2,1-2H3
InChIKeyCBRIFKWJWUKPOW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds3

About ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2736452) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2736452
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Nameethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3cccs3)nn2c1C
InChIInChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-15-13-7-11(12-5-4-6-20-12)16-17(13)9(10)2/h4-8H,3H2,1-2H3
InChIKeyCBRIFKWJWUKPOW-UHFFFAOYSA-N
XLogP2.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
3-{[(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]amino}-2-thiophenecarboxylic acid
CID 2768093
Ethyl 5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079438
Thiophen-2-ylmethyl pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 137649306
Methyl 3-{[(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]amino}-2-thiophenecarboxylate
CID 2768085
5-(2-Thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 759110
Ethyl 7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 708026
7-(Thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 6485368
7-(Thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4773601
Ethyl 5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 998814

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2736452) is ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(-c3cccs3)nn2c1C.
What is the InChIKey of ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is CBRIFKWJWUKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-15-13-7-11(12-5-4-6-20-12)16-17(13)9(10)2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2736452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).