O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine

C23H21N3O — CID 70536537

IUPACO-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine
SMILESNOCc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O/c24-27-17-18-16-25-26-22(18)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16H,17,24H2,(H,25,26)
InChIKeyYDPHUJZCJQSPGP-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.18
Rot. Bonds6

About O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine

O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine (PubChem CID 70536537) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine
PubChem CID70536537
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameO-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine
SMILESNOCc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O/c24-27-17-18-16-25-26-22(18)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16H,17,24H2,(H,25,26)
InChIKeyYDPHUJZCJQSPGP-UHFFFAOYSA-N
XLogP4.18
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-trityl-1H-pyrazol-4-yl)ethanol
CID 67674618
5-trityl-1H-pyrazol-4-ol
CID 70097747
1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine
CID 68666578
4-benzyl-5-(trifluoromethyl)-1H-pyrazole
CID 121219370
[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
CID 155973658
[5-[2-(4-fluorophenyl)propan-2-yl]-1H-pyrazol-4-yl]methanamine
CID 79487514
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
CID 62487194
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxyaniline
CID 68723027
3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
CID 105453769
oxalic acid;[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 118993591
[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 47626527

Frequently Asked Questions

What is the IUPAC name of O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine?
The IUPAC name of O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine (CID 70536537) is O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine is NOCc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine?
The InChIKey is YDPHUJZCJQSPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c24-27-17-18-16-25-26-22(18)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16H,17,24H2,(H,25,26).
What are the key properties of O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine?
O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine has a molecular weight of 355.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 70536537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).