N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine

C10H10FN3O — CID 117295562

IUPACN-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
SMILESONCc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-9-6-8(7-13-15)2-3-10(9)14-5-1-4-12-14/h1-6,13,15H,7H2
InChIKeyDHEUCZADZMXOTL-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.49
Rot. Bonds3

About N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine

N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine (PubChem CID 117295562) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
PubChem CID117295562
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC NameN-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
SMILESONCc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C10H10FN3O/c11-9-6-8(7-13-15)2-3-10(9)14-5-1-4-12-14/h1-6,13,15H,7H2
InChIKeyDHEUCZADZMXOTL-UHFFFAOYSA-N
XLogP1.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.49
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

N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 43275370
4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
CID 117402200
1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
CID 43506232
2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
CID 117340384
N-[(4-fluoro-3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 62122481
(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
CID 94830259
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
CID 58758348
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine (CID 117295562) is N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine is ONCc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine?
The InChIKey is DHEUCZADZMXOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-9-6-8(7-13-15)2-3-10(9)14-5-1-4-12-14/h1-6,13,15H,7H2.
What are the key properties of N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine?
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine has a molecular weight of 207.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117295562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).