3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole

C8H12N2S — CID 139516319

IUPAC3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole
SMILESCCc1n[nH]c2c1CCSC2
InChIInChI=1S/C8H12N2S/c1-2-7-6-3-4-11-5-8(6)10-9-7/h2-5H2,1H3,(H,9,10)
InChIKeyRAEDFMKFXKPZQV-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.76
Rot. Bonds1

About 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole

3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole (PubChem CID 139516319) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole
PubChem CID139516319
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole
SMILESCCc1n[nH]c2c1CCSC2
InChIInChI=1S/C8H12N2S/c1-2-7-6-3-4-11-5-8(6)10-9-7/h2-5H2,1H3,(H,9,10)
InChIKeyRAEDFMKFXKPZQV-UHFFFAOYSA-N
XLogP1.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole?
The IUPAC name of 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole (CID 139516319) is 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole.
What is the SMILES notation for 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole?
The canonical SMILES for 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole is CCc1n[nH]c2c1CCSC2.
What is the InChIKey of 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole?
The InChIKey is RAEDFMKFXKPZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-7-6-3-4-11-5-8(6)10-9-7/h2-5H2,1H3,(H,9,10).
What are the key properties of 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole?
3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole has a molecular weight of 168.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4,5,7-tetrahydrothiopyrano[4,3-d]pyrazole is sourced from PubChem (CID 139516319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).