3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

C10H8Br2N4O — CID 82799717

IUPAC3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-n2cc(Br)cn2)c(Br)c1
InChIInChI=1S/C10H8Br2N4O/c11-7-4-14-16(5-7)9-2-1-6(3-8(9)12)10(13)15-17/h1-5,17H,(H2,13,15)
InChIKeyKPEIBCDHRNNMSK-UHFFFAOYSA-N
MW360.01 g/mol
LogP2.49
Rot. Bonds2

About 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 82799717) has the molecular formula C10H8Br2N4O and a molecular weight of 360.01 g/mol. Its IUPAC name is 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID82799717
Molecular FormulaC10H8Br2N4O
Molecular Weight360.01 g/mol
Exact Mass357.91
IUPAC Name3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-n2cc(Br)cn2)c(Br)c1
InChIInChI=1S/C10H8Br2N4O/c11-7-4-14-16(5-7)9-2-1-6(3-8(9)12)10(13)15-17/h1-5,17H,(H2,13,15)
InChIKeyKPEIBCDHRNNMSK-UHFFFAOYSA-N
XLogP2.49
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.01
LogP ≤ 52.49
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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Related Compounds

4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 55037069
2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 55182153
1-[3-bromo-4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 62910663
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 82799187
3-chloro-N'-hydroxy-4-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 77022005
4-[(4-bromopyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909417
3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799389
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
3-bromo-4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799275
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (CID 82799717) is 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(-n2cc(Br)cn2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is KPEIBCDHRNNMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N4O/c11-7-4-14-16(5-7)9-2-1-6(3-8(9)12)10(13)15-17/h1-5,17H,(H2,13,15).
What are the key properties of 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 360.01 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82799717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).