1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one

C13H20N4O — CID 66212268

IUPAC1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCC1C2CNCC2CN1C(=O)C(C)n1cccn1
InChIInChI=1S/C13H20N4O/c1-9-12-7-14-6-11(12)8-16(9)13(18)10(2)17-5-3-4-15-17/h3-5,9-12,14H,6-8H2,1-2H3
InChIKeyAZMMUYSARWMCCS-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.51
Rot. Bonds2

About 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one

1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one (PubChem CID 66212268) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one
PubChem CID66212268
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCC1C2CNCC2CN1C(=O)C(C)n1cccn1
InChIInChI=1S/C13H20N4O/c1-9-12-7-14-6-11(12)8-16(9)13(18)10(2)17-5-3-4-15-17/h3-5,9-12,14H,6-8H2,1-2H3
InChIKeyAZMMUYSARWMCCS-UHFFFAOYSA-N
XLogP0.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one (CID 66212268) is 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one is CC1C2CNCC2CN1C(=O)C(C)n1cccn1.
What is the InChIKey of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one?
The InChIKey is AZMMUYSARWMCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-12-7-14-6-11(12)8-16(9)13(18)10(2)17-5-3-4-15-17/h3-5,9-12,14H,6-8H2,1-2H3.
What are the key properties of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one?
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 66212268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).