2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide

C10H8BrClN4O — CID 55182153

IUPAC2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1-n1cc(Br)cn1
InChIInChI=1S/C10H8BrClN4O/c11-6-4-14-16(5-6)9-3-7(12)1-2-8(9)10(13)15-17/h1-5,17H,(H2,13,15)
InChIKeyHUEBGTBHMFTUNR-UHFFFAOYSA-N
MW315.56 g/mol
LogP2.38
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide

2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 55182153) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID55182153
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1-n1cc(Br)cn1
InChIInChI=1S/C10H8BrClN4O/c11-6-4-14-16(5-6)9-3-7(12)1-2-8(9)10(13)15-17/h1-5,17H,(H2,13,15)
InChIKeyHUEBGTBHMFTUNR-UHFFFAOYSA-N
XLogP2.38
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 52.38
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-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide (CID 55182153) is 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HUEBGTBHMFTUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-6-4-14-16(5-6)9-3-7(12)1-2-8(9)10(13)15-17/h1-5,17H,(H2,13,15).
What are the key properties of 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide?
2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 315.56 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55182153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).