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

C23H25BrN4 — CID 3915469

IUPAC3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESBrc1cccc(-n2nc(C3CCN(Cc4ccccc4)CC3)c3c2NCC3)c1
InChIInChI=1S/C23H25BrN4/c24-19-7-4-8-20(15-19)28-23-21(9-12-25-23)22(26-28)18-10-13-27(14-11-18)16-17-5-2-1-3-6-17/h1-8,15,18,25H,9-14,16H2
InChIKeyHQNXQNUQDSFSPH-UHFFFAOYSA-N
MW437.39 g/mol
LogP4.98
Rot. Bonds4

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

3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3915469) has the molecular formula C23H25BrN4 and a molecular weight of 437.39 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3915469
Molecular FormulaC23H25BrN4
Molecular Weight437.39 g/mol
Exact Mass436.13
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESBrc1cccc(-n2nc(C3CCN(Cc4ccccc4)CC3)c3c2NCC3)c1
InChIInChI=1S/C23H25BrN4/c24-19-7-4-8-20(15-19)28-23-21(9-12-25-23)22(26-28)18-10-13-27(14-11-18)16-17-5-2-1-3-6-17/h1-8,15,18,25H,9-14,16H2
InChIKeyHQNXQNUQDSFSPH-UHFFFAOYSA-N
XLogP4.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 54.98
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-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3915469) is 3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Brc1cccc(-n2nc(C3CCN(Cc4ccccc4)CC3)c3c2NCC3)c1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is HQNXQNUQDSFSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4/c24-19-7-4-8-20(15-19)28-23-21(9-12-25-23)22(26-28)18-10-13-27(14-11-18)16-17-5-2-1-3-6-17/h1-8,15,18,25H,9-14,16H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(1-benzylpiperidin-4-yl)-1-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 437.39 g/mol, XLogP of 4.98, 4 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-(3-bromophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3915469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).