ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

C13H16N4O2S — CID 136837786

IUPACethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1NCCC2c1nccs1
InChIInChI=1S/C13H16N4O2S/c1-3-19-13(18)10-8(2)16-17-9(4-5-14-11(10)17)12-15-6-7-20-12/h6-7,9,14H,3-5H2,1-2H3
InChIKeyZFRFVRXANSGUGH-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.23
Rot. Bonds3

About ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136837786) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136837786
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Nameethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1NCCC2c1nccs1
InChIInChI=1S/C13H16N4O2S/c1-3-19-13(18)10-8(2)16-17-9(4-5-14-11(10)17)12-15-6-7-20-12/h6-7,9,14H,3-5H2,1-2H3
InChIKeyZFRFVRXANSGUGH-UHFFFAOYSA-N
XLogP2.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136837786) is ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C)nn2c1NCCC2c1nccs1.
What is the InChIKey of ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ZFRFVRXANSGUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-19-13(18)10-8(2)16-17-9(4-5-14-11(10)17)12-15-6-7-20-12/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136837786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).