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

C10H15N3OS — CID 105483251

IUPAC2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCNC1)CCSC2
InChIInChI=1S/C10H15N3OS/c14-10-8-6-15-4-2-9(8)12-13(10)7-1-3-11-5-7/h7,11-12H,1-6H2
InChIKeyNQMACLSMYQLGLN-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.50
Rot. Bonds1

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

2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (PubChem CID 105483251) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
PubChem CID105483251
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCNC1)CCSC2
InChIInChI=1S/C10H15N3OS/c14-10-8-6-15-4-2-9(8)12-13(10)7-1-3-11-5-7/h7,11-12H,1-6H2
InChIKeyNQMACLSMYQLGLN-UHFFFAOYSA-N
XLogP0.50
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (CID 105483251) is 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is O=c1c2c([nH]n1C1CCNC1)CCSC2.
What is the InChIKey of 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The InChIKey is NQMACLSMYQLGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10-8-6-15-4-2-9(8)12-13(10)7-1-3-11-5-7/h7,11-12H,1-6H2.
What are the key properties of 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one has a molecular weight of 225.32 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 105483251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).