5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide

C13H15BrN4O2 — CID 114892810

IUPAC5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
SMILESCCCn1cc(Oc2ccc(Br)cc2/C(N)=N/O)cn1
InChIInChI=1S/C13H15BrN4O2/c1-2-5-18-8-10(7-16-18)20-12-4-3-9(14)6-11(12)13(15)17-19/h3-4,6-8,19H,2,5H2,1H3,(H2,15,17)
InChIKeyMVAVAOPEYZIFRQ-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.94
Rot. Bonds5

About 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide

5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide (PubChem CID 114892810) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
PubChem CID114892810
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
SMILESCCCn1cc(Oc2ccc(Br)cc2/C(N)=N/O)cn1
InChIInChI=1S/C13H15BrN4O2/c1-2-5-18-8-10(7-16-18)20-12-4-3-9(14)6-11(12)13(15)17-19/h3-4,6-8,19H,2,5H2,1H3,(H2,15,17)
InChIKeyMVAVAOPEYZIFRQ-UHFFFAOYSA-N
XLogP2.94
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.94
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-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801996
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114893388
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
5-bromo-2-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892753
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
CID 116800405
5-bromo-N'-hydroxy-2-[(1-methyltriazol-4-yl)methoxy]benzenecarboximidamide
CID 107043336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide (CID 114892810) is 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide is CCCn1cc(Oc2ccc(Br)cc2/C(N)=N/O)cn1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
The InChIKey is MVAVAOPEYZIFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-2-5-18-8-10(7-16-18)20-12-4-3-9(14)6-11(12)13(15)17-19/h3-4,6-8,19H,2,5H2,1H3,(H2,15,17).
What are the key properties of 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide?
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide has a molecular weight of 339.19 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 114892810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).