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

C12H12BrN3 — CID 82378677

IUPAC2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC1NCc2nn(-c3ccccc3Br)cc21
InChIInChI=1S/C12H12BrN3/c1-8-9-7-16(15-11(9)6-14-8)12-5-3-2-4-10(12)13/h2-5,7-8,14H,6H2,1H3
InChIKeySPEAVGJBEIFYKL-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.80
Rot. Bonds1

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

2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 82378677) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID82378677
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC1NCc2nn(-c3ccccc3Br)cc21
InChIInChI=1S/C12H12BrN3/c1-8-9-7-16(15-11(9)6-14-8)12-5-3-2-4-10(12)13/h2-5,7-8,14H,6H2,1H3
InChIKeySPEAVGJBEIFYKL-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 82378677) is 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is CC1NCc2nn(-c3ccccc3Br)cc21.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is SPEAVGJBEIFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-9-7-16(15-11(9)6-14-8)12-5-3-2-4-10(12)13/h2-5,7-8,14H,6H2,1H3.
What are the key properties of 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 278.15 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 82378677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).