3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

C12H9BrF2N2 — CID 134364431

IUPAC3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESFc1ccc(F)c(-c2nn3c(c2Br)CCC3)c1
InChIInChI=1S/C12H9BrF2N2/c13-11-10-2-1-5-17(10)16-12(11)8-6-7(14)3-4-9(8)15/h3-4,6H,1-2,5H2
InChIKeyLRSUDLZJFQKXCK-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.54
Rot. Bonds1

About 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole

3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 134364431) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID134364431
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC Name3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESFc1ccc(F)c(-c2nn3c(c2Br)CCC3)c1
InChIInChI=1S/C12H9BrF2N2/c13-11-10-2-1-5-17(10)16-12(11)8-6-7(14)3-4-9(8)15/h3-4,6H,1-2,5H2
InChIKeyLRSUDLZJFQKXCK-UHFFFAOYSA-N
XLogP3.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 134364431) is 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is Fc1ccc(F)c(-c2nn3c(c2Br)CCC3)c1.
What is the InChIKey of 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is LRSUDLZJFQKXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c13-11-10-2-1-5-17(10)16-12(11)8-6-7(14)3-4-9(8)15/h3-4,6H,1-2,5H2.
What are the key properties of 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 299.12 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 134364431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).