3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide

C12H12Br2N4 — CID 82800276

IUPAC3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)c(Br)c2C)c(Br)c1
InChIInChI=1S/C12H12Br2N4/c1-6-11(14)7(2)18(17-6)10-4-3-8(12(15)16)5-9(10)13/h3-5H,1-2H3,(H3,15,16)
InChIKeyLPLLAUGYLPLELX-UHFFFAOYSA-N
MW372.06 g/mol
LogP3.30
Rot. Bonds2

About 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide

3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide (PubChem CID 82800276) has the molecular formula C12H12Br2N4 and a molecular weight of 372.06 g/mol. Its IUPAC name is 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
PubChem CID82800276
Molecular FormulaC12H12Br2N4
Molecular Weight372.06 g/mol
Exact Mass369.94
IUPAC Name3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2nc(C)c(Br)c2C)c(Br)c1
InChIInChI=1S/C12H12Br2N4/c1-6-11(14)7(2)18(17-6)10-4-3-8(12(15)16)5-9(10)13/h3-5H,1-2H3,(H3,15,16)
InChIKeyLPLLAUGYLPLELX-UHFFFAOYSA-N
XLogP3.30
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenecarboximidamide
CID 82799867
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide
CID 62309017
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 55038602
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 115489734
(1S)-1-[3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 78941393
3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513474
3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine-2-carboximidamide
CID 62684725
2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide
CID 63884159
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 114895144
3-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534136
3-bromo-4-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 82799956
5-bromo-6-methylpyridine-3-carboximidamide
CID 83886236

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide (CID 82800276) is 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2nc(C)c(Br)c2C)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
The InChIKey is LPLLAUGYLPLELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4/c1-6-11(14)7(2)18(17-6)10-4-3-8(12(15)16)5-9(10)13/h3-5H,1-2H3,(H3,15,16).
What are the key properties of 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide has a molecular weight of 372.06 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 82800276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).