4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide

C10H8BrN5O3 — CID 55037069

IUPAC4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-n2cc(Br)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8BrN5O3/c11-7-4-13-15(5-7)8-2-1-6(10(12)14-17)3-9(8)16(18)19/h1-5,17H,(H2,12,14)
InChIKeyBHWQCNSJRAEPDP-UHFFFAOYSA-N
MW326.11 g/mol
LogP1.64
Rot. Bonds3

About 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide

4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 55037069) has the molecular formula C10H8BrN5O3 and a molecular weight of 326.11 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID55037069
Molecular FormulaC10H8BrN5O3
Molecular Weight326.11 g/mol
Exact Mass324.98
IUPAC Name4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-n2cc(Br)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H8BrN5O3/c11-7-4-13-15(5-7)8-2-1-6(10(12)14-17)3-9(8)16(18)19/h1-5,17H,(H2,12,14)
InChIKeyBHWQCNSJRAEPDP-UHFFFAOYSA-N
XLogP1.64
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide (CID 55037069) is 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide is N/C(=N/O)c1ccc(-n2cc(Br)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is BHWQCNSJRAEPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5O3/c11-7-4-13-15(5-7)8-2-1-6(10(12)14-17)3-9(8)16(18)19/h1-5,17H,(H2,12,14).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide?
4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 326.11 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 55037069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).