4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C15H15N3O3 — CID 56588805

IUPAC4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccc3c(c1)OCO3)NC2=O
InChIInChI=1S/C15H15N3O3/c1-7(2)12-11-13(16-15(19)14(11)18-17-12)8-3-4-9-10(5-8)21-6-20-9/h3-5,7,13H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFTQAQBBVCQTTCC-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.09
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 56588805) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID56588805
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccc3c(c1)OCO3)NC2=O
InChIInChI=1S/C15H15N3O3/c1-7(2)12-11-13(16-15(19)14(11)18-17-12)8-3-4-9-10(5-8)21-6-20-9/h3-5,7,13H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFTQAQBBVCQTTCC-UHFFFAOYSA-N
XLogP2.09
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 56588805) is 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)c1[nH]nc2c1C(c1ccc3c(c1)OCO3)NC2=O.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is FTQAQBBVCQTTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-7(2)12-11-13(16-15(19)14(11)18-17-12)8-3-4-9-10(5-8)21-6-20-9/h3-5,7,13H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 285.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 56588805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).