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

C25H30N4 — CID 5029409

IUPAC3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCc1ccc(-n2nc(C3CCN(Cc4ccccc4)CC3)c3c2NCC3)cc1
InChIInChI=1S/C25H30N4/c1-2-19-8-10-22(11-9-19)29-25-23(12-15-26-25)24(27-29)21-13-16-28(17-14-21)18-20-6-4-3-5-7-20/h3-11,21,26H,2,12-18H2,1H3
InChIKeyXXUVOWMRBQGINN-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.78
Rot. Bonds5

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

3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 5029409) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID5029409
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCc1ccc(-n2nc(C3CCN(Cc4ccccc4)CC3)c3c2NCC3)cc1
InChIInChI=1S/C25H30N4/c1-2-19-8-10-22(11-9-19)29-25-23(12-15-26-25)24(27-29)21-13-16-28(17-14-21)18-20-6-4-3-5-7-20/h3-11,21,26H,2,12-18H2,1H3
InChIKeyXXUVOWMRBQGINN-UHFFFAOYSA-N
XLogP4.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 5029409) is 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCc1ccc(-n2nc(C3CCN(Cc4ccccc4)CC3)c3c2NCC3)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is XXUVOWMRBQGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-2-19-8-10-22(11-9-19)29-25-23(12-15-26-25)24(27-29)21-13-16-28(17-14-21)18-20-6-4-3-5-7-20/h3-11,21,26H,2,12-18H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 386.54 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 5029409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).