N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine

C5H7N3O2S — CID 141001443

IUPACN-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCS(=O)n1ccc(C=NO)n1
InChIInChI=1S/C5H7N3O2S/c1-11(10)8-3-2-5(7-8)4-6-9/h2-4,9H,1H3
InChIKeyBADAFRLYMPQFCE-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.17
Rot. Bonds2

About N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine

N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine (PubChem CID 141001443) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine
PubChem CID141001443
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC NameN-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCS(=O)n1ccc(C=NO)n1
InChIInChI=1S/C5H7N3O2S/c1-11(10)8-3-2-5(7-8)4-6-9/h2-4,9H,1H3
InChIKeyBADAFRLYMPQFCE-UHFFFAOYSA-N
XLogP-0.17
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine (CID 141001443) is N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine is CS(=O)n1ccc(C=NO)n1.
What is the InChIKey of N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine?
The InChIKey is BADAFRLYMPQFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-11(10)8-3-2-5(7-8)4-6-9/h2-4,9H,1H3.
What are the key properties of N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine?
N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine has a molecular weight of 173.20 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfinylpyrazol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 141001443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).