O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine

C5H6F3N3O — CID 70279437

IUPACO-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine
SMILESCn1nc(C(F)(F)F)cc1ON
InChIInChI=1S/C5H6F3N3O/c1-11-4(12-9)2-3(10-11)5(6,7)8/h2H,9H2,1H3
InChIKeyUPEFUUPLTFONCM-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.69
Rot. Bonds1

About O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine

O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine (PubChem CID 70279437) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine.

Molecular Properties

Compound NameO-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine
PubChem CID70279437
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC NameO-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine
SMILESCn1nc(C(F)(F)F)cc1ON
InChIInChI=1S/C5H6F3N3O/c1-11-4(12-9)2-3(10-11)5(6,7)8/h2H,9H2,1H3
InChIKeyUPEFUUPLTFONCM-UHFFFAOYSA-N
XLogP0.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine?
The IUPAC name of O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine (CID 70279437) is O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine.
What is the SMILES notation for O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine?
The canonical SMILES for O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine is Cn1nc(C(F)(F)F)cc1ON.
What is the InChIKey of O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine?
The InChIKey is UPEFUUPLTFONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-11-4(12-9)2-3(10-11)5(6,7)8/h2H,9H2,1H3.
What are the key properties of O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine?
O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine has a molecular weight of 181.12 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]hydroxylamine is sourced from PubChem (CID 70279437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).