3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C19H18BrN3 — CID 4296912

IUPAC3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3ccccc3Br)c3c2NCC3)c(C)c1
InChIInChI=1S/C19H18BrN3/c1-12-7-8-17(13(2)11-12)23-19-15(9-10-21-19)18(22-23)14-5-3-4-6-16(14)20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyQOOLTYRKDIPPBL-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.89
Rot. Bonds2

About 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 4296912) has the molecular formula C19H18BrN3 and a molecular weight of 368.28 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID4296912
Molecular FormulaC19H18BrN3
Molecular Weight368.28 g/mol
Exact Mass367.07
IUPAC Name3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESCc1ccc(-n2nc(-c3ccccc3Br)c3c2NCC3)c(C)c1
InChIInChI=1S/C19H18BrN3/c1-12-7-8-17(13(2)11-12)23-19-15(9-10-21-19)18(22-23)14-5-3-4-6-16(14)20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyQOOLTYRKDIPPBL-UHFFFAOYSA-N
XLogP4.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 4296912) is 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Cc1ccc(-n2nc(-c3ccccc3Br)c3c2NCC3)c(C)c1.
What is the InChIKey of 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is QOOLTYRKDIPPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3/c1-12-7-8-17(13(2)11-12)23-19-15(9-10-21-19)18(22-23)14-5-3-4-6-16(14)20/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 368.28 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 4296912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).