N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine

C9H8N3O2- — CID 20850194

IUPACN-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine
SMILES[O-]N(O)c1ccccc1-c1cn[nH]c1
InChIInChI=1S/C9H8N3O2/c13-12(14)9-4-2-1-3-8(9)7-5-10-11-6-7/h1-6,13H,(H,10,11)/q-1
InChIKeyKHHIIVLJUNWFOL-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.77
Rot. Bonds2

About N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine

N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine (PubChem CID 20850194) has the molecular formula C9H8N3O2- and a molecular weight of 190.18 g/mol. Its IUPAC name is N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine
PubChem CID20850194
Molecular FormulaC9H8N3O2-
Molecular Weight190.18 g/mol
Exact Mass190.06
IUPAC NameN-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine
SMILES[O-]N(O)c1ccccc1-c1cn[nH]c1
InChIInChI=1S/C9H8N3O2/c13-12(14)9-4-2-1-3-8(9)7-5-10-11-6-7/h1-6,13H,(H,10,11)/q-1
InChIKeyKHHIIVLJUNWFOL-UHFFFAOYSA-N
XLogP1.77
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-1H-pyrazole
CID 17155
3-(4-Nitrophenyl)-1H-pyrazole
CID 2737071
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
4-Phenylpyrazole
CID 139106
3-Methyl-4-phenylpyrazol
CID 139601
3-(3-nitrophenyl)-1H-pyrazole
CID 2737070
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
3-(1H-Pyrazol-3-yl)aniline
CID 2735398
5-(4-methylphenyl)-1H-pyrazole
CID 2725023
4-(1H-pyrazol-4-yl)aniline
CID 13977013
3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 16658021

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine?
The IUPAC name of N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine (CID 20850194) is N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine.
What is the SMILES notation for N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine?
The canonical SMILES for N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine is [O-]N(O)c1ccccc1-c1cn[nH]c1.
What is the InChIKey of N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine?
The InChIKey is KHHIIVLJUNWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3O2/c13-12(14)9-4-2-1-3-8(9)7-5-10-11-6-7/h1-6,13H,(H,10,11)/q-1.
What are the key properties of N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine?
N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine has a molecular weight of 190.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-[2-(1H-pyrazol-4-yl)phenyl]hydroxylamine is sourced from PubChem (CID 20850194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).