O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine

C16H14ClN3O — CID 145474090

IUPACO-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
SMILESNOC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H14ClN3O/c17-15-7-5-13(6-8-15)16(21-18)12-3-1-11(2-4-12)14-9-19-20-10-14/h1-10,16H,18H2,(H,19,20)
InChIKeyATUIQTOBBYFQJX-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.71
Rot. Bonds4

About O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine

O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine (PubChem CID 145474090) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
PubChem CID145474090
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameO-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
SMILESNOC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H14ClN3O/c17-15-7-5-13(6-8-15)16(21-18)12-3-1-11(2-4-12)14-9-19-20-10-14/h1-10,16H,18H2,(H,19,20)
InChIKeyATUIQTOBBYFQJX-UHFFFAOYSA-N
XLogP3.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
CID 11405111
3-(4-chlorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 71143204
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 11990842
2-[2-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methoxy]ethylcarbamoyl]benzoic acid
CID 59331989
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 151696156
methanamine;4-phenyl-1H-pyrazole
CID 174608925
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
CID 70840207

Frequently Asked Questions

What is the IUPAC name of O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine (CID 145474090) is O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine is NOC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine?
The InChIKey is ATUIQTOBBYFQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-15-7-5-13(6-8-15)16(21-18)12-3-1-11(2-4-12)14-9-19-20-10-14/h1-10,16H,18H2,(H,19,20).
What are the key properties of O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine?
O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine has a molecular weight of 299.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 145474090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).