2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide

C7H11BrN4O — CID 5375067

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide
SMILESCc1nn(C/C(N)=N\O)c(C)c1Br
InChIInChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(10-4)3-6(9)11-13/h13H,3H2,1-2H3,(H2,9,11)
InChIKeySUMHLVREPKLBKM-UHFFFAOYSA-N
MW247.10 g/mol
LogP1.01
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide (PubChem CID 5375067) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide
PubChem CID5375067
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide
SMILESCc1nn(C/C(N)=N\O)c(C)c1Br
InChIInChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(10-4)3-6(9)11-13/h13H,3H2,1-2H3,(H2,9,11)
InChIKeySUMHLVREPKLBKM-UHFFFAOYSA-N
XLogP1.01
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide (CID 5375067) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide is Cc1nn(C/C(N)=N\O)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is SUMHLVREPKLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-4-7(8)5(2)12(10-4)3-6(9)11-13/h13H,3H2,1-2H3,(H2,9,11).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 247.10 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 5375067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).