3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C15H19N3 — CID 4209928

IUPAC3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCc1ccc(-n2nc(CC)c3c2NCC3)cc1
InChIInChI=1S/C15H19N3/c1-3-11-5-7-12(8-6-11)18-15-13(9-10-16-15)14(4-2)17-18/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyOJPACFHSYCFQRQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.97
Rot. Bonds3

About 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4209928) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4209928
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCc1ccc(-n2nc(CC)c3c2NCC3)cc1
InChIInChI=1S/C15H19N3/c1-3-11-5-7-12(8-6-11)18-15-13(9-10-16-15)14(4-2)17-18/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyOJPACFHSYCFQRQ-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4209928) is 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCc1ccc(-n2nc(CC)c3c2NCC3)cc1.
What is the InChIKey of 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is OJPACFHSYCFQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-11-5-7-12(8-6-11)18-15-13(9-10-16-15)14(4-2)17-18/h5-8,16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 241.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4209928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).