5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C14H18N4O2 — CID 76952252

IUPAC5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1ccc(C)c(Oc2c(C(N)=NO)c(C)nn2C)c1
InChIInChI=1S/C14H18N4O2/c1-8-5-6-9(2)11(7-8)20-14-12(13(15)17-19)10(3)16-18(14)4/h5-7,19H,1-4H3,(H2,15,17)
InChIKeyUKUFKAZXOYQISN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.23
Rot. Bonds3

About 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76952252) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76952252
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1ccc(C)c(Oc2c(C(N)=NO)c(C)nn2C)c1
InChIInChI=1S/C14H18N4O2/c1-8-5-6-9(2)11(7-8)20-14-12(13(15)17-19)10(3)16-18(14)4/h5-7,19H,1-4H3,(H2,15,17)
InChIKeyUKUFKAZXOYQISN-UHFFFAOYSA-N
XLogP2.23
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76952252) is 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is Cc1ccc(C)c(Oc2c(C(N)=NO)c(C)nn2C)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is UKUFKAZXOYQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-5-6-9(2)11(7-8)20-14-12(13(15)17-19)10(3)16-18(14)4/h5-7,19H,1-4H3,(H2,15,17).
What are the key properties of 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 274.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76952252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).