N-methylidenehydroxylamine;1H-pyrazole

C4H7N3O — CID 158731780

IUPACN-methylidenehydroxylamine;1H-pyrazole
SMILESC=NO.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3NO/c1-2-4-5-3-1;1-2-3/h1-3H,(H,4,5);3H,1H2
InChIKeyILENGBMYHUMSDS-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.49
Rot. Bonds

About N-methylidenehydroxylamine;1H-pyrazole

N-methylidenehydroxylamine;1H-pyrazole (PubChem CID 158731780) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is N-methylidenehydroxylamine;1H-pyrazole.

Molecular Properties

Compound NameN-methylidenehydroxylamine;1H-pyrazole
PubChem CID158731780
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC NameN-methylidenehydroxylamine;1H-pyrazole
SMILESC=NO.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3NO/c1-2-4-5-3-1;1-2-3/h1-3H,(H,4,5);3H,1H2
InChIKeyILENGBMYHUMSDS-UHFFFAOYSA-N
XLogP0.49
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methylidenehydroxylamine;1H-pyrazole?
The IUPAC name of N-methylidenehydroxylamine;1H-pyrazole (CID 158731780) is N-methylidenehydroxylamine;1H-pyrazole.
What is the SMILES notation for N-methylidenehydroxylamine;1H-pyrazole?
The canonical SMILES for N-methylidenehydroxylamine;1H-pyrazole is C=NO.c1cn[nH]c1.
What is the InChIKey of N-methylidenehydroxylamine;1H-pyrazole?
The InChIKey is ILENGBMYHUMSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH3NO/c1-2-4-5-3-1;1-2-3/h1-3H,(H,4,5);3H,1H2.
What are the key properties of N-methylidenehydroxylamine;1H-pyrazole?
N-methylidenehydroxylamine;1H-pyrazole has a molecular weight of 113.12 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenehydroxylamine;1H-pyrazole is sourced from PubChem (CID 158731780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).