N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine

C22H18ClN3O2 — CID 172560765

IUPACN-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine
SMILESON(c1ccccc1)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H18ClN3O2/c23-18-10-12-19(13-11-18)25-15-14-22(24-25)28-16-17-6-4-5-9-21(17)26(27)20-7-2-1-3-8-20/h1-15,27H,16H2
InChIKeyBUQKZEXNJBEZPN-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.63
Rot. Bonds6

About N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine

N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine (PubChem CID 172560765) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine.

Molecular Properties

Compound NameN-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine
PubChem CID172560765
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine
SMILESON(c1ccccc1)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H18ClN3O2/c23-18-10-12-19(13-11-18)25-15-14-22(24-25)28-16-17-6-4-5-9-21(17)26(27)20-7-2-1-3-8-20/h1-15,27H,16H2
InChIKeyBUQKZEXNJBEZPN-UHFFFAOYSA-N
XLogP5.63
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole
CID 67042683
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-1-methoxy-3-methylurea
CID 142124179
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-hydroxycarbamate;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate;methyl(tritio)phosphane
CID 159909178
3,6-dichloro-2-methoxybenzoic acid;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 50915145
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155217844
ethane;N-[2-[(1-phenylpyrazol-3-yl)oxymethyl]phenyl]hydroxylamine
CID 159074793
methyl 2-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-3-(fluoromethoxy)prop-2-enoate
CID 72971600
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
CID 155217759
2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
CID 121269425
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 134293404
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine;methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 87250854

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine?
The IUPAC name of N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine (CID 172560765) is N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine.
What is the SMILES notation for N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine?
The canonical SMILES for N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine is ON(c1ccccc1)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine?
The InChIKey is BUQKZEXNJBEZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-18-10-12-19(13-11-18)25-15-14-22(24-25)28-16-17-6-4-5-9-21(17)26(27)20-7-2-1-3-8-20/h1-15,27H,16H2.
What are the key properties of N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine?
N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine has a molecular weight of 391.86 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine is sourced from PubChem (CID 172560765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).