N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine

C11H13N3O — CID 117291725

IUPACN-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
SMILESCc1ccnn1-c1ccc(CNO)cc1
InChIInChI=1S/C11H13N3O/c1-9-6-7-12-14(9)11-4-2-10(3-5-11)8-13-15/h2-7,13,15H,8H2,1H3
InChIKeyLGTGUQILRDABGI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.66
Rot. Bonds3

About N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine

N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine (PubChem CID 117291725) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
PubChem CID117291725
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
SMILESCc1ccnn1-c1ccc(CNO)cc1
InChIInChI=1S/C11H13N3O/c1-9-6-7-12-14(9)11-4-2-10(3-5-11)8-13-15/h2-7,13,15H,8H2,1H3
InChIKeyLGTGUQILRDABGI-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine (CID 117291725) is N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine is Cc1ccnn1-c1ccc(CNO)cc1.
What is the InChIKey of N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine?
The InChIKey is LGTGUQILRDABGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-6-7-12-14(9)11-4-2-10(3-5-11)8-13-15/h2-7,13,15H,8H2,1H3.
What are the key properties of N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine?
N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine has a molecular weight of 203.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117291725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).