5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C11H16N6O2 — CID 81345751

IUPAC5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1cc(Oc2c(/C(N)=N/O)c(C)nn2C)n(C)n1
InChIInChI=1S/C11H16N6O2/c1-6-5-8(16(3)13-6)19-11-9(10(12)15-18)7(2)14-17(11)4/h5,18H,1-4H3,(H2,12,15)
InChIKeyLMCXNEFEQICLIB-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.66
Rot. Bonds3

About 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 81345751) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID81345751
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1cc(Oc2c(/C(N)=N/O)c(C)nn2C)n(C)n1
InChIInChI=1S/C11H16N6O2/c1-6-5-8(16(3)13-6)19-11-9(10(12)15-18)7(2)14-17(11)4/h5,18H,1-4H3,(H2,12,15)
InChIKeyLMCXNEFEQICLIB-UHFFFAOYSA-N
XLogP0.66
TPSA103.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 81345751) is 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is Cc1cc(Oc2c(/C(N)=N/O)c(C)nn2C)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is LMCXNEFEQICLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-6-5-8(16(3)13-6)19-11-9(10(12)15-18)7(2)14-17(11)4/h5,18H,1-4H3,(H2,12,15).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 264.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 81345751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).