N-(1-methylpyrazol-3-yl)hydroxylamine

C4H7N3O — CID 20818455

IUPACN-(1-methylpyrazol-3-yl)hydroxylamine
SMILESCn1ccc(NO)n1
InChIInChI=1S/C4H7N3O/c1-7-3-2-4(5-7)6-8/h2-3,8H,1H3,(H,5,6)
InChIKeyAXRQKBZBUHPLEY-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.22
Rot. Bonds1

About N-(1-methylpyrazol-3-yl)hydroxylamine

N-(1-methylpyrazol-3-yl)hydroxylamine (PubChem CID 20818455) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)hydroxylamine
PubChem CID20818455
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC NameN-(1-methylpyrazol-3-yl)hydroxylamine
SMILESCn1ccc(NO)n1
InChIInChI=1S/C4H7N3O/c1-7-3-2-4(5-7)6-8/h2-3,8H,1H3,(H,5,6)
InChIKeyAXRQKBZBUHPLEY-UHFFFAOYSA-N
XLogP0.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.22
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-(1-methylpyrazol-3-yl)hydroxylamine?
The IUPAC name of N-(1-methylpyrazol-3-yl)hydroxylamine (CID 20818455) is N-(1-methylpyrazol-3-yl)hydroxylamine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)hydroxylamine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)hydroxylamine is Cn1ccc(NO)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)hydroxylamine?
The InChIKey is AXRQKBZBUHPLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-3-2-4(5-7)6-8/h2-3,8H,1H3,(H,5,6).
What are the key properties of N-(1-methylpyrazol-3-yl)hydroxylamine?
N-(1-methylpyrazol-3-yl)hydroxylamine has a molecular weight of 113.12 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)hydroxylamine is sourced from PubChem (CID 20818455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).