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

C12H10BrFN2 — CID 67438227

IUPAC3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESFc1ccccc1-c1nn2c(c1Br)CCC2
InChIInChI=1S/C12H10BrFN2/c13-11-10-6-3-7-16(10)15-12(11)8-4-1-2-5-9(8)14/h1-2,4-5H,3,6-7H2
InChIKeyUACBGYSYCRTFAM-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.40
Rot. Bonds1

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

3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (PubChem CID 67438227) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is 3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
PubChem CID67438227
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC Name3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
SMILESFc1ccccc1-c1nn2c(c1Br)CCC2
InChIInChI=1S/C12H10BrFN2/c13-11-10-6-3-7-16(10)15-12(11)8-4-1-2-5-9(8)14/h1-2,4-5H,3,6-7H2
InChIKeyUACBGYSYCRTFAM-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.40
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-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole (CID 67438227) is 3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is Fc1ccccc1-c1nn2c(c1Br)CCC2.
What is the InChIKey of 3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is UACBGYSYCRTFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c13-11-10-6-3-7-16(10)15-12(11)8-4-1-2-5-9(8)14/h1-2,4-5H,3,6-7H2.
What are the key properties of 3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole?
3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 281.13 g/mol, XLogP of 3.40, 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-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 67438227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).