1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one

C9H12N2OS — CID 105450156

IUPAC1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESO=c1[nH]n(C2CC2)c2c1CSCC2
InChIInChI=1S/C9H12N2OS/c12-9-7-5-13-4-3-8(7)11(10-9)6-1-2-6/h6H,1-5H2,(H,10,12)
InChIKeyXOPGKKSYNZOTBK-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.30
Rot. Bonds1

About 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one

1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (PubChem CID 105450156) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
PubChem CID105450156
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESO=c1[nH]n(C2CC2)c2c1CSCC2
InChIInChI=1S/C9H12N2OS/c12-9-7-5-13-4-3-8(7)11(10-9)6-1-2-6/h6H,1-5H2,(H,10,12)
InChIKeyXOPGKKSYNZOTBK-UHFFFAOYSA-N
XLogP1.30
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (CID 105450156) is 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is O=c1[nH]n(C2CC2)c2c1CSCC2.
What is the InChIKey of 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The InChIKey is XOPGKKSYNZOTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9-7-5-13-4-3-8(7)11(10-9)6-1-2-6/h6H,1-5H2,(H,10,12).
What are the key properties of 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one has a molecular weight of 196.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 105450156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).