4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide

C12H13BrN4 — CID 114904706

IUPAC4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1-n1nc(C)cc1C
InChIInChI=1S/C12H13BrN4/c1-7-5-8(2)17(16-7)11-6-9(13)3-4-10(11)12(14)15/h3-6H,1-2H3,(H3,14,15)
InChIKeyBGDLRDVPRWTHJD-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.54
Rot. Bonds2

About 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide

4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide (PubChem CID 114904706) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
PubChem CID114904706
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1-n1nc(C)cc1C
InChIInChI=1S/C12H13BrN4/c1-7-5-8(2)17(16-7)11-6-9(13)3-4-10(11)12(14)15/h3-6H,1-2H3,(H3,14,15)
InChIKeyBGDLRDVPRWTHJD-UHFFFAOYSA-N
XLogP2.54
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.54
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'}

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Related Compounds

4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzamide
CID 114907640
4-bromo-2-(3,5-dimethylpyrazol-1-yl)aniline
CID 12746688
5-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 114892139
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 43658360
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide
CID 62309017
4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
4-bromo-2-piperidin-1-ylbenzenecarboximidamide
CID 114904395
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
N-[[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 43282149
1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 82970956
4-bromo-2-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 114904446

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide (CID 114904706) is 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1-n1nc(C)cc1C.
What is the InChIKey of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
The InChIKey is BGDLRDVPRWTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7-5-8(2)17(16-7)11-6-9(13)3-4-10(11)12(14)15/h3-6H,1-2H3,(H3,14,15).
What are the key properties of 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide?
4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide has a molecular weight of 293.17 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114904706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).