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

C8H12FN3O — CID 20528223

IUPAC(NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
SMILESCC(C)(CF)/C(=N/O)n1cccn1
InChIInChI=1S/C8H12FN3O/c1-8(2,6-9)7(11-13)12-5-3-4-10-12/h3-5,13H,6H2,1-2H3/b11-7-
InChIKeyGTKUNNOOLRGCNB-XFFZJAGNSA-N
MW185.20 g/mol
LogP1.51
Rot. Bonds2

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

(NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine (PubChem CID 20528223) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
PubChem CID20528223
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name(NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine
SMILESCC(C)(CF)/C(=N/O)n1cccn1
InChIInChI=1S/C8H12FN3O/c1-8(2,6-9)7(11-13)12-5-3-4-10-12/h3-5,13H,6H2,1-2H3/b11-7-
InChIKeyGTKUNNOOLRGCNB-XFFZJAGNSA-N
XLogP1.51
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine (CID 20528223) is (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine is CC(C)(CF)/C(=N/O)n1cccn1.
What is the InChIKey of (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
The InChIKey is GTKUNNOOLRGCNB-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-8(2,6-9)7(11-13)12-5-3-4-10-12/h3-5,13H,6H2,1-2H3/b11-7-.
What are the key properties of (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine?
(NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine has a molecular weight of 185.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-fluoro-2,2-dimethyl-1-pyrazol-1-ylpropylidene)hydroxylamine is sourced from PubChem (CID 20528223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).