N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine

C11H13N3O — CID 82608522

IUPACN-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
SMILESCN(O)Cc1ccccc1-n1cccn1
InChIInChI=1S/C11H13N3O/c1-13(15)9-10-5-2-3-6-11(10)14-8-4-7-12-14/h2-8,15H,9H2,1H3
InChIKeyYSOZFZMJZXLXFZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.69
Rot. Bonds3

About N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine

N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine (PubChem CID 82608522) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
PubChem CID82608522
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
SMILESCN(O)Cc1ccccc1-n1cccn1
InChIInChI=1S/C11H13N3O/c1-13(15)9-10-5-2-3-6-11(10)14-8-4-7-12-14/h2-8,15H,9H2,1H3
InChIKeyYSOZFZMJZXLXFZ-UHFFFAOYSA-N
XLogP1.69
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol
CID 95141112
6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 91793396
N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 72923212
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
1-[4-[[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]methyl]thiophen-2-yl]ethanone
CID 77079840
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 91764030
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
2-(2-pyrazol-1-ylphenyl)propan-2-ol
CID 117290916
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine?
The IUPAC name of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine (CID 82608522) is N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine is CN(O)Cc1ccccc1-n1cccn1.
What is the InChIKey of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine?
The InChIKey is YSOZFZMJZXLXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13(15)9-10-5-2-3-6-11(10)14-8-4-7-12-14/h2-8,15H,9H2,1H3.
What are the key properties of N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine?
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine has a molecular weight of 203.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 82608522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).