(NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine

C9H14FN3O — CID 20528246

IUPAC(NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(CF)/C(Cn1cccn1)=N/O
InChIInChI=1S/C9H14FN3O/c1-9(2,7-10)8(12-14)6-13-5-3-4-11-13/h3-5,14H,6-7H2,1-2H3/b12-8+
InChIKeyIPSZHCIFUDGPFA-XYOKQWHBSA-N
MW199.23 g/mol
LogP1.71
Rot. Bonds4

About (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine

(NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine (PubChem CID 20528246) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine
PubChem CID20528246
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name(NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(CF)/C(Cn1cccn1)=N/O
InChIInChI=1S/C9H14FN3O/c1-9(2,7-10)8(12-14)6-13-5-3-4-11-13/h3-5,14H,6-7H2,1-2H3/b12-8+
InChIKeyIPSZHCIFUDGPFA-XYOKQWHBSA-N
XLogP1.71
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine (CID 20528246) is (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine is CC(C)(CF)/C(Cn1cccn1)=N/O.
What is the InChIKey of (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine?
The InChIKey is IPSZHCIFUDGPFA-XYOKQWHBSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(2,7-10)8(12-14)6-13-5-3-4-11-13/h3-5,14H,6-7H2,1-2H3/b12-8+.
What are the key properties of (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine?
(NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine has a molecular weight of 199.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-fluoro-3,3-dimethyl-1-pyrazol-1-ylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 20528246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).