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

C14H24N4 — CID 103005279

IUPAC4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCc1ccnn1C
InChIInChI=1S/C14H24N4/c1-3-14-13-9-15-8-11(13)10-18(14)7-5-12-4-6-16-17(12)2/h4,6,11,13-15H,3,5,7-10H2,1-2H3
InChIKeyAYLMJQKBTLFAPH-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.89
Rot. Bonds4

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

4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 103005279) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID103005279
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCc1ccnn1C
InChIInChI=1S/C14H24N4/c1-3-14-13-9-15-8-11(13)10-18(14)7-5-12-4-6-16-17(12)2/h4,6,11,13-15H,3,5,7-10H2,1-2H3
InChIKeyAYLMJQKBTLFAPH-UHFFFAOYSA-N
XLogP0.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209922
4-ethyl-5-(4-phenylbutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114334232
4-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 66208931
4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207385
4-ethyl-5-[(3-methylimidazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209062
1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one
CID 82907258
4-ethyl-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209069
4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114556388
5-[2-(3-bromophenoxy)ethyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208929
8-ethyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016543
4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208758
N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 103005268

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 103005279) is 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1CCc1ccnn1C.
What is the InChIKey of 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is AYLMJQKBTLFAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-14-13-9-15-8-11(13)10-18(14)7-5-12-4-6-16-17(12)2/h4,6,11,13-15H,3,5,7-10H2,1-2H3.
What are the key properties of 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 248.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 103005279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).