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

C14H22N4O — CID 43648261

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2C(C)CC3CNCC32)n1
InChIInChI=1S/C14H22N4O/c1-9-4-10(2)17(16-9)8-14(19)18-11(3)5-12-6-15-7-13(12)18/h4,11-13,15H,5-8H2,1-3H3
InChIKeyIRKCHRQDWOYOHF-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.71
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone (PubChem CID 43648261) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
PubChem CID43648261
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2C(C)CC3CNCC32)n1
InChIInChI=1S/C14H22N4O/c1-9-4-10(2)17(16-9)8-14(19)18-11(3)5-12-6-15-7-13(12)18/h4,11-13,15H,5-8H2,1-3H3
InChIKeyIRKCHRQDWOYOHF-UHFFFAOYSA-N
XLogP0.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
(1,3-dimethylpyrazol-4-yl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 102801977
1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63863889
(3-ethyl-1-methylpyrazol-5-yl)-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 66120755
1-[(2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 166250727
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
2-adamantyl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)methanone
CID 81099765
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
(E)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)but-2-en-1-one
CID 43595498
1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 64978366
azepan-1-yl-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)methanone
CID 79151943
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CID 63299515

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone (CID 43648261) is 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone is Cc1cc(C)n(CC(=O)N2C(C)CC3CNCC32)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
The InChIKey is IRKCHRQDWOYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-4-10(2)17(16-9)8-14(19)18-11(3)5-12-6-15-7-13(12)18/h4,11-13,15H,5-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone has a molecular weight of 262.36 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)ethanone is sourced from PubChem (CID 43648261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).