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

C14H22N4O — CID 66211109

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC3CNCC3C2C)n(C)n1
InChIInChI=1S/C14H22N4O/c1-4-11-5-13(17(3)16-11)14(19)18-8-10-6-15-7-12(10)9(18)2/h5,9-10,12,15H,4,6-8H2,1-3H3
InChIKeyUQTASHBZXOYLOB-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.66
Rot. Bonds2

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

(3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (PubChem CID 66211109) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
PubChem CID66211109
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CC3CNCC3C2C)n(C)n1
InChIInChI=1S/C14H22N4O/c1-4-11-5-13(17(3)16-11)14(19)18-8-10-6-15-7-12(10)9(18)2/h5,9-10,12,15H,4,6-8H2,1-3H3
InChIKeyUQTASHBZXOYLOB-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216
(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
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1-methylimidazol-4-yl)methanone
CID 114022794
1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
CID 66120562
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66120512
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 66209764
1H-imidazol-5-yl-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66210524
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
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66184379
(3-ethyl-1-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029176
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 66209570

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone (CID 66211109) is (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is CCc1cc(C(=O)N2CC3CNCC3C2C)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
The InChIKey is UQTASHBZXOYLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-11-5-13(17(3)16-11)14(19)18-8-10-6-15-7-12(10)9(18)2/h5,9-10,12,15H,4,6-8H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone?
(3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone is sourced from PubChem (CID 66211109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).