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

C18H23BrN4 — CID 5021459

IUPAC1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESBrc1ccc(-n2nc(CCN3CCCCC3)c3c2NCC3)cc1
InChIInChI=1S/C18H23BrN4/c19-14-4-6-15(7-5-14)23-18-16(8-10-20-18)17(21-23)9-13-22-11-2-1-3-12-22/h4-7,20H,1-3,8-13H2
InChIKeyOSXLFHYYFZZFLK-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.63
Rot. Bonds4

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

1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 5021459) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID5021459
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC Name1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESBrc1ccc(-n2nc(CCN3CCCCC3)c3c2NCC3)cc1
InChIInChI=1S/C18H23BrN4/c19-14-4-6-15(7-5-14)23-18-16(8-10-20-18)17(21-23)9-13-22-11-2-1-3-12-22/h4-7,20H,1-3,8-13H2
InChIKeyOSXLFHYYFZZFLK-UHFFFAOYSA-N
XLogP3.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 5021459) is 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Brc1ccc(-n2nc(CCN3CCCCC3)c3c2NCC3)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is OSXLFHYYFZZFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4/c19-14-4-6-15(7-5-14)23-18-16(8-10-20-18)17(21-23)9-13-22-11-2-1-3-12-22/h4-7,20H,1-3,8-13H2.
What are the key properties of 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 375.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 5021459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).