4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole

C11H9Br2N3O2 — CID 65343683

IUPAC4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2cc(Br)ccc2[N+](=O)[O-])c(C)c1Br
InChIInChI=1S/C11H9Br2N3O2/c1-6-11(13)7(2)15(14-6)10-5-8(12)3-4-9(10)16(17)18/h3-5H,1-2H3
InChIKeyQSHANBRMRCZCJW-UHFFFAOYSA-N
MW375.02 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole

4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole (PubChem CID 65343683) has the molecular formula C11H9Br2N3O2 and a molecular weight of 375.02 g/mol. Its IUPAC name is 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole
PubChem CID65343683
Molecular FormulaC11H9Br2N3O2
Molecular Weight375.02 g/mol
Exact Mass372.91
IUPAC Name4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2cc(Br)ccc2[N+](=O)[O-])c(C)c1Br
InChIInChI=1S/C11H9Br2N3O2/c1-6-11(13)7(2)15(14-6)10-5-8(12)3-4-9(10)16(17)18/h3-5H,1-2H3
InChIKeyQSHANBRMRCZCJW-UHFFFAOYSA-N
XLogP3.92
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-(4,5-dimethoxy-2-nitrophenyl)-3,5-dimethylpyrazole
CID 83004087
4-bromo-1-(4-iodo-2-nitrophenyl)-3,5-dimethylpyrazole
CID 66081126
4-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzonitrile
CID 114902301
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-nitroaniline
CID 55080397
4-bromo-1-(2-iodo-4-nitrophenyl)-3,5-dimethylpyrazole
CID 66093297
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 114895144
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-nitroquinoline
CID 103964827
4-bromo-1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole
CID 65485777
5-bromo-2-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoic acid
CID 114896055
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890230
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
3,5-dimethyl-1-(2-nitrophenyl)pyrazol-4-amine
CID 134405647

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole (CID 65343683) is 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole is Cc1nn(-c2cc(Br)ccc2[N+](=O)[O-])c(C)c1Br.
What is the InChIKey of 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole?
The InChIKey is QSHANBRMRCZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3O2/c1-6-11(13)7(2)15(14-6)10-5-8(12)3-4-9(10)16(17)18/h3-5H,1-2H3.
What are the key properties of 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole?
4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole has a molecular weight of 375.02 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(5-bromo-2-nitrophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 65343683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).