4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C16H28N4 — CID 66210034

IUPAC4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H28N4/c1-6-15-14-8-17-7-13(14)9-20(15)12(4)16-10(2)18-19(5)11(16)3/h12-15,17H,6-9H2,1-5H3
InChIKeyBXHXLCOYPUTBGK-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.03
Rot. Bonds3

About 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66210034) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66210034
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C(C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H28N4/c1-6-15-14-8-17-7-13(14)9-20(15)12(4)16-10(2)18-19(5)11(16)3/h12-15,17H,6-9H2,1-5H3
InChIKeyBXHXLCOYPUTBGK-UHFFFAOYSA-N
XLogP2.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

2-[1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]phenol
CID 66207712
5-[1-(3,4-difluorophenyl)ethyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208119
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoic acid
CID 66210280
[4-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-2-yl]methanamine
CID 103440773
4-ethyl-5-[1-(3-methoxyphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210239
ethyl 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanoate
CID 66209139
3-[1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]benzonitrile
CID 66207915
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81458250
6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678460
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-pentylpropanamide
CID 66210282
4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208596
ethyl 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentanoate
CID 83049959

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66210034) is 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1C(C)c1c(C)nn(C)c1C.
What is the InChIKey of 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is BXHXLCOYPUTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-15-14-8-17-7-13(14)9-20(15)12(4)16-10(2)18-19(5)11(16)3/h12-15,17H,6-9H2,1-5H3.
What are the key properties of 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 276.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66210034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).