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

C13H20N4O — CID 66213244

IUPAC1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCC1C2CNCC2CN1C(=O)CCn1cccn1
InChIInChI=1S/C13H20N4O/c1-10-12-8-14-7-11(12)9-17(10)13(18)3-6-16-5-2-4-15-16/h2,4-5,10-12,14H,3,6-9H2,1H3
InChIKeyACAXXSHRNWGHDY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.34
Rot. Bonds3

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

1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 66213244) 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)-3-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)-3-pyrazol-1-ylpropan-1-one
PubChem CID66213244
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)-3-pyrazol-1-ylpropan-1-one
SMILESCC1C2CNCC2CN1C(=O)CCn1cccn1
InChIInChI=1S/C13H20N4O/c1-10-12-8-14-7-11(12)9-17(10)13(18)3-6-16-5-2-4-15-16/h2,4-5,10-12,14H,3,6-9H2,1H3
InChIKeyACAXXSHRNWGHDY-UHFFFAOYSA-N
XLogP0.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.34
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)-3-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(triazol-1-yl)propan-1-one
CID 66213249
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120658799
3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
CID 66211098
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
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(4-methylphenyl)propan-1-one
CID 66208408
2-cyclopropyl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66208410
3-methyl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-one
CID 114875661
2-cyclopent-2-en-1-yl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66213041
2-ethyl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-one
CID 66213054
2-(3,4-dichlorophenyl)-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66212663
2-(3-chlorophenyl)-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66213234
1-[(3aR,4S,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1,2,4-triazol-1-yl)propan-1-one;hydrochloride
CID 171707634

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)-3-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)-3-pyrazol-1-ylpropan-1-one (CID 66213244) is 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-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)-3-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)-3-pyrazol-1-ylpropan-1-one is CC1C2CNCC2CN1C(=O)CCn1cccn1.
What is the InChIKey of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is ACAXXSHRNWGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-12-8-14-7-11(12)9-17(10)13(18)3-6-16-5-2-4-15-16/h2,4-5,10-12,14H,3,6-9H2,1H3.
What are the key properties of 1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyrazol-1-ylpropan-1-one?
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.34, 3 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)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 66213244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).