1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide

C5H6F2N4O — CID 136959642

IUPAC1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide
SMILESN/C(=N\O)c1ccn(C(F)F)n1
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-2-1-3(9-11)4(8)10-12/h1-2,5,12H,(H2,8,10)
InChIKeyVVXLLFOGIJMCMY-UHFFFAOYSA-N
MW176.13 g/mol
LogP0.37
Rot. Bonds2

About 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide

1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide (PubChem CID 136959642) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide
PubChem CID136959642
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide
SMILESN/C(=N\O)c1ccn(C(F)F)n1
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-2-1-3(9-11)4(8)10-12/h1-2,5,12H,(H2,8,10)
InChIKeyVVXLLFOGIJMCMY-UHFFFAOYSA-N
XLogP0.37
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 50.37
H-Bond Donors ≤ 52
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 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide?
The IUPAC name of 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide (CID 136959642) is 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide.
What is the SMILES notation for 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide?
The canonical SMILES for 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide is N/C(=N\O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide?
The InChIKey is VVXLLFOGIJMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c6-5(7)11-2-1-3(9-11)4(8)10-12/h1-2,5,12H,(H2,8,10).
What are the key properties of 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide?
1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide has a molecular weight of 176.13 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N'-hydroxypyrazole-3-carboximidamide is sourced from PubChem (CID 136959642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).