5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide

C9H14N4O — CID 83878906

IUPAC5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide
SMILESCCn1ncc(/C(N)=N\O)c1C1CC1
InChIInChI=1S/C9H14N4O/c1-2-13-8(6-3-4-6)7(5-11-13)9(10)12-14/h5-6,14H,2-4H2,1H3,(H2,10,12)
InChIKeyGLYCVEXEYWNRSD-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.87
Rot. Bonds3

About 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide

5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide (PubChem CID 83878906) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide
PubChem CID83878906
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide
SMILESCCn1ncc(/C(N)=N\O)c1C1CC1
InChIInChI=1S/C9H14N4O/c1-2-13-8(6-3-4-6)7(5-11-13)9(10)12-14/h5-6,14H,2-4H2,1H3,(H2,10,12)
InChIKeyGLYCVEXEYWNRSD-UHFFFAOYSA-N
XLogP0.87
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.87
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-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide?
The IUPAC name of 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide (CID 83878906) is 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide.
What is the SMILES notation for 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide?
The canonical SMILES for 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide is CCn1ncc(/C(N)=N\O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide?
The InChIKey is GLYCVEXEYWNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-13-8(6-3-4-6)7(5-11-13)9(10)12-14/h5-6,14H,2-4H2,1H3,(H2,10,12).
What are the key properties of 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide?
5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-ethyl-N'-hydroxypyrazole-4-carboximidamide is sourced from PubChem (CID 83878906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).