5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide

C7H11ClN4O — CID 83881355

IUPAC5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide
SMILESCCc1nn(C)c(Cl)c1/C(N)=N\O
InChIInChI=1S/C7H11ClN4O/c1-3-4-5(7(9)11-13)6(8)12(2)10-4/h13H,3H2,1-2H3,(H2,9,11)
InChIKeyWMMYTRYAVKDYJP-UHFFFAOYSA-N
MW202.65 g/mol
LogP0.73
Rot. Bonds2

About 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide

5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide (PubChem CID 83881355) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide
PubChem CID83881355
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide
SMILESCCc1nn(C)c(Cl)c1/C(N)=N\O
InChIInChI=1S/C7H11ClN4O/c1-3-4-5(7(9)11-13)6(8)12(2)10-4/h13H,3H2,1-2H3,(H2,9,11)
InChIKeyWMMYTRYAVKDYJP-UHFFFAOYSA-N
XLogP0.73
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.73
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 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide?
The IUPAC name of 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide (CID 83881355) is 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide?
The canonical SMILES for 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide is CCc1nn(C)c(Cl)c1/C(N)=N\O.
What is the InChIKey of 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide?
The InChIKey is WMMYTRYAVKDYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-3-4-5(7(9)11-13)6(8)12(2)10-4/h13H,3H2,1-2H3,(H2,9,11).
What are the key properties of 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide?
5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide has a molecular weight of 202.65 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N'-hydroxy-1-methylpyrazole-4-carboximidamide is sourced from PubChem (CID 83881355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).