N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine

C10H11N3O2 — CID 87170393

IUPACN-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine
SMILESONc1ccccc1COc1ccn[nH]1
InChIInChI=1S/C10H11N3O2/c14-13-9-4-2-1-3-8(9)7-15-10-5-6-11-12-10/h1-6,13-14H,7H2,(H,11,12)
InChIKeyBCKOINUNUYEINW-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine

N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine (PubChem CID 87170393) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine
PubChem CID87170393
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine
SMILESONc1ccccc1COc1ccn[nH]1
InChIInChI=1S/C10H11N3O2/c14-13-9-4-2-1-3-8(9)7-15-10-5-6-11-12-10/h1-6,13-14H,7H2,(H,11,12)
InChIKeyBCKOINUNUYEINW-UHFFFAOYSA-N
XLogP1.79
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-nitrophenyl)methoxy]-1H-pyrazole
CID 53348295
4-(1H-pyrazol-5-yloxymethyl)pyridine
CID 164914774
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
ethane;N-[2-[(1-phenylpyrazol-3-yl)oxymethyl]phenyl]hydroxylamine
CID 159074793
trimethyl(1H-pyrazol-5-yloxymethyl)silane
CID 155784154
5-prop-2-ynoxy-1H-pyrazole
CID 139451946
N-(2-benzylphenyl)hydroxylamine
CID 3014197
5-[(2-fluoro-6-isocyanatophenyl)methoxy]-1H-pyrazole
CID 144783470
tert-butyl N-[4-(1H-pyrazol-5-yloxy)butyl]carbamate
CID 164885813
5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole
CID 134587422
5-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrazole
CID 141346603
N-[2-[2-(dimethylamino)ethyl]phenyl]hydroxylamine
CID 57171134

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine?
The IUPAC name of N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine (CID 87170393) is N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine is ONc1ccccc1COc1ccn[nH]1.
What is the InChIKey of N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine?
The InChIKey is BCKOINUNUYEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-13-9-4-2-1-3-8(9)7-15-10-5-6-11-12-10/h1-6,13-14H,7H2,(H,11,12).
What are the key properties of N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine?
N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine has a molecular weight of 205.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazol-5-yloxymethyl)phenyl]hydroxylamine is sourced from PubChem (CID 87170393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).