4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide

C12H13BrN4O2 — CID 114904345

IUPAC4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Oc2cc(Br)ccc2/C(N)=N/O)n(C)n1
InChIInChI=1S/C12H13BrN4O2/c1-7-5-11(17(2)15-7)19-10-6-8(13)3-4-9(10)12(14)16-18/h3-6,18H,1-2H3,(H2,14,16)
InChIKeyTWOCIVUZSHBWQJ-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.38
Rot. Bonds3

About 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide

4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide (PubChem CID 114904345) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide
PubChem CID114904345
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(Oc2cc(Br)ccc2/C(N)=N/O)n(C)n1
InChIInChI=1S/C12H13BrN4O2/c1-7-5-11(17(2)15-7)19-10-6-8(13)3-4-9(10)12(14)16-18/h3-6,18H,1-2H3,(H2,14,16)
InChIKeyTWOCIVUZSHBWQJ-UHFFFAOYSA-N
XLogP2.38
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxybenzenecarbothioamide
CID 114903777
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
[4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]methanamine
CID 114900847
3-chloro-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyridine-4-carboximidamide
CID 136739765
5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 81345751
4-bromo-2-(5-bromo-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904369
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
5-bromo-2-(2,5-dimethylpyrazol-3-yl)oxybenzonitrile
CID 114891082
4-bromo-2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114904195
2-(4-bromo-2-chlorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938807
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013838
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136986806

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide (CID 114904345) is 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide is Cc1cc(Oc2cc(Br)ccc2/C(N)=N/O)n(C)n1.
What is the InChIKey of 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is TWOCIVUZSHBWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-7-5-11(17(2)15-7)19-10-6-8(13)3-4-9(10)12(14)16-18/h3-6,18H,1-2H3,(H2,14,16).
What are the key properties of 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide?
4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 325.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114904345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).