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

C19H26N4 — CID 3613335

IUPAC3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCn1nc(C2CCCCN2Cc2ccccc2)c2c1NCC2
InChIInChI=1S/C19H26N4/c1-2-23-19-16(11-12-20-19)18(21-23)17-10-6-7-13-22(17)14-15-8-4-3-5-9-15/h3-5,8-9,17,20H,2,6-7,10-14H2,1H3
InChIKeyOIHZZLUBOBUZQA-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.60
Rot. Bonds4

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

3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3613335) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3613335
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCn1nc(C2CCCCN2Cc2ccccc2)c2c1NCC2
InChIInChI=1S/C19H26N4/c1-2-23-19-16(11-12-20-19)18(21-23)17-10-6-7-13-22(17)14-15-8-4-3-5-9-15/h3-5,8-9,17,20H,2,6-7,10-14H2,1H3
InChIKeyOIHZZLUBOBUZQA-UHFFFAOYSA-N
XLogP3.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylpiperidin-2-yl)-1-(2,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3552578
1-ethyl-3-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3613647
3-(1-benzylpiperidin-2-yl)-1-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4213852
3-(1-benzylpiperidin-2-yl)-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4693184
3-(1-ethylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4041891
3-benzyl-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5025153
1-(4-chloro-2-methylphenyl)-3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5173174
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4035152
1-(3-chlorophenyl)-3-(1-ethylpiperidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3979215
3-(1-benzylpiperidin-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3960673
3-cyclopentyl-1-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4263649

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3613335) is 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCn1nc(C2CCCCN2Cc2ccccc2)c2c1NCC2.
What is the InChIKey of 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is OIHZZLUBOBUZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-23-19-16(11-12-20-19)18(21-23)17-10-6-7-13-22(17)14-15-8-4-3-5-9-15/h3-5,8-9,17,20H,2,6-7,10-14H2,1H3.
What are the key properties of 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 310.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-2-yl)-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3613335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).