(NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine

C9H15N3OS — CID 20528249

IUPAC(NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine
SMILESCSCC(C)(C)/C(=N/O)n1cccn1
InChIInChI=1S/C9H15N3OS/c1-9(2,7-14-3)8(11-13)12-6-4-5-10-12/h4-6,13H,7H2,1-3H3/b11-8-
InChIKeyRUOQYFLDEXJNGU-FLIBITNWSA-N
MW213.31 g/mol
LogP1.91
Rot. Bonds3

About (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine

(NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine (PubChem CID 20528249) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine
PubChem CID20528249
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine
SMILESCSCC(C)(C)/C(=N/O)n1cccn1
InChIInChI=1S/C9H15N3OS/c1-9(2,7-14-3)8(11-13)12-6-4-5-10-12/h4-6,13H,7H2,1-3H3/b11-8-
InChIKeyRUOQYFLDEXJNGU-FLIBITNWSA-N
XLogP1.91
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine (CID 20528249) is (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine is CSCC(C)(C)/C(=N/O)n1cccn1.
What is the InChIKey of (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The InChIKey is RUOQYFLDEXJNGU-FLIBITNWSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,7-14-3)8(11-13)12-6-4-5-10-12/h4-6,13H,7H2,1-3H3/b11-8-.
What are the key properties of (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
(NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine has a molecular weight of 213.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,2-dimethyl-3-methylsulfanyl-1-pyrazol-1-ylpropylidene)hydroxylamine is sourced from PubChem (CID 20528249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).