1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide

C6H8F2N4O — CID 136959632

IUPAC1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide
SMILESN/C(=N\O)c1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N4O/c7-5(8)3-12-2-1-4(10-12)6(9)11-13/h1-2,5,13H,3H2,(H2,9,11)
InChIKeyLWVDJNNQSXZWBX-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.24
Rot. Bonds3

About 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide

1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide (PubChem CID 136959632) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide
PubChem CID136959632
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide
SMILESN/C(=N\O)c1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N4O/c7-5(8)3-12-2-1-4(10-12)6(9)11-13/h1-2,5,13H,3H2,(H2,9,11)
InChIKeyLWVDJNNQSXZWBX-UHFFFAOYSA-N
XLogP0.24
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.24
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-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide (CID 136959632) is 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide is N/C(=N\O)c1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide?
The InChIKey is LWVDJNNQSXZWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c7-5(8)3-12-2-1-4(10-12)6(9)11-13/h1-2,5,13H,3H2,(H2,9,11).
What are the key properties of 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide?
1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide has a molecular weight of 190.15 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N'-hydroxypyrazole-3-carboximidamide is sourced from PubChem (CID 136959632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).