2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C6H7BrN2 — CID 90319196

IUPAC2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESBrc1cc2n(n1)CCC2
InChIInChI=1S/C6H7BrN2/c7-6-4-5-2-1-3-9(5)8-6/h4H,1-3H2
InChIKeyRYEGWNUMFCRGFU-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.59
Rot. Bonds

About 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 90319196) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID90319196
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESBrc1cc2n(n1)CCC2
InChIInChI=1S/C6H7BrN2/c7-6-4-5-2-1-3-9(5)8-6/h4H,1-3H2
InChIKeyRYEGWNUMFCRGFU-UHFFFAOYSA-N
XLogP1.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 90319196) is 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Brc1cc2n(n1)CCC2.
What is the InChIKey of 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is RYEGWNUMFCRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-6-4-5-2-1-3-9(5)8-6/h4H,1-3H2.
What are the key properties of 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 187.04 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 90319196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).