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

C14H24N4 — CID 66208758

IUPAC4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1Cc1cnn(CC)c1
InChIInChI=1S/C14H24N4/c1-3-14-13-7-15-6-12(13)10-17(14)8-11-5-16-18(4-2)9-11/h5,9,12-15H,3-4,6-8,10H2,1-2H3
InChIKeyKSYVGQAPZXEPMI-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.33
Rot. Bonds4

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

4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66208758) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66208758
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1Cc1cnn(CC)c1
InChIInChI=1S/C14H24N4/c1-3-14-13-7-15-6-12(13)10-17(14)8-11-5-16-18(4-2)9-11/h5,9,12-15H,3-4,6-8,10H2,1-2H3
InChIKeyKSYVGQAPZXEPMI-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-bromophenyl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209462
4-ethyl-5-[(3-methylimidazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209062
5-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-methyl-1,3-thiazole
CID 66210037
4-ethyl-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209069
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 66209525
2-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-5-propylpiperazine
CID 64846772
4-ethyl-5-[(3-propoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208683
2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
CID 64846043
2-tert-butyl-5-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
CID 64861095
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-benzothiazole
CID 66208368
4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 103005279
5-[(2,5-dichlorophenyl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209343

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66208758) is 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1Cc1cnn(CC)c1.
What is the InChIKey of 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is KSYVGQAPZXEPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-14-13-7-15-6-12(13)10-17(14)8-11-5-16-18(4-2)9-11/h5,9,12-15H,3-4,6-8,10H2,1-2H3.
What are the key properties of 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 248.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[(1-ethylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66208758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).