3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium

C5H10F2N5O+ — CID 166003684

IUPAC3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium
SMILESC[n+]1[nH]c(OC(F)F)cc1NNN
InChIInChI=1S/C5H9F2N5O/c1-12-3(9-11-8)2-4(10-12)13-5(6)7/h2,5,11H,8H2,1H3,(H,9,10)/p+1
InChIKeyIAGIGFZAQXYLNH-UHFFFAOYSA-O
MW194.17 g/mol
LogP-0.77
Rot. Bonds4

About 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium

3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium (PubChem CID 166003684) has the molecular formula C5H10F2N5O+ and a molecular weight of 194.17 g/mol. Its IUPAC name is 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium.

Molecular Properties

Compound Name3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium
PubChem CID166003684
Molecular FormulaC5H10F2N5O+
Molecular Weight194.17 g/mol
Exact Mass194.08
IUPAC Name3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium
SMILESC[n+]1[nH]c(OC(F)F)cc1NNN
InChIInChI=1S/C5H9F2N5O/c1-12-3(9-11-8)2-4(10-12)13-5(6)7/h2,5,11H,8H2,1H3,(H,9,10)/p+1
InChIKeyIAGIGFZAQXYLNH-UHFFFAOYSA-O
XLogP-0.77
TPSA78.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium?
The IUPAC name of 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium (CID 166003684) is 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium.
What is the SMILES notation for 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium?
The canonical SMILES for 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium is C[n+]1[nH]c(OC(F)F)cc1NNN.
What is the InChIKey of 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium?
The InChIKey is IAGIGFZAQXYLNH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9F2N5O/c1-12-3(9-11-8)2-4(10-12)13-5(6)7/h2,5,11H,8H2,1H3,(H,9,10)/p+1.
What are the key properties of 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium?
3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium has a molecular weight of 194.17 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminohydrazinyl)-5-(difluoromethoxy)-2-methyl-1H-pyrazol-2-ium is sourced from PubChem (CID 166003684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).