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

C13H17N3S — CID 136841205

IUPAC3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1sccc1C
InChIInChI=1S/C13H17N3S/c1-3-10-8-15-16-11(4-6-14-13(10)16)12-9(2)5-7-17-12/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyFSZHXIQDUAJSAW-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.22
Rot. Bonds2

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

3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841205) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841205
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1sccc1C
InChIInChI=1S/C13H17N3S/c1-3-10-8-15-16-11(4-6-14-13(10)16)12-9(2)5-7-17-12/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyFSZHXIQDUAJSAW-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841205) is 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NCCC2c1sccc1C.
What is the InChIKey of 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FSZHXIQDUAJSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-10-8-15-16-11(4-6-14-13(10)16)12-9(2)5-7-17-12/h5,7-8,11,14H,3-4,6H2,1-2H3.
What are the key properties of 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 247.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).