3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C10H9N3OS — CID 46253342

IUPAC3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1cccs1)NC2=O
InChIInChI=1S/C10H9N3OS/c1-5-7-8(6-3-2-4-15-6)11-10(14)9(7)13-12-5/h2-4,8H,1H3,(H,11,14)(H,12,13)
InChIKeyZLEGRRPZNMUIOY-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.61
Rot. Bonds1

About 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 46253342) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID46253342
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1cccs1)NC2=O
InChIInChI=1S/C10H9N3OS/c1-5-7-8(6-3-2-4-15-6)11-10(14)9(7)13-12-5/h2-4,8H,1H3,(H,11,14)(H,12,13)
InChIKeyZLEGRRPZNMUIOY-UHFFFAOYSA-N
XLogP1.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 46253342) is 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1C(c1cccs1)NC2=O.
What is the InChIKey of 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is ZLEGRRPZNMUIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-5-7-8(6-3-2-4-15-6)11-10(14)9(7)13-12-5/h2-4,8H,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 219.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 46253342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).