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

C10H16N4O2 — CID 76951956

IUPAC5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCC2CC2)c1C(N)=NO
InChIInChI=1S/C10H16N4O2/c1-6-8(9(11)13-15)10(14(2)12-6)16-5-7-3-4-7/h7,15H,3-5H2,1-2H3,(H2,11,13)
InChIKeyXEHPCVXQGRBIPJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.61
Rot. Bonds4

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

5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76951956) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76951956
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCC2CC2)c1C(N)=NO
InChIInChI=1S/C10H16N4O2/c1-6-8(9(11)13-15)10(14(2)12-6)16-5-7-3-4-7/h7,15H,3-5H2,1-2H3,(H2,11,13)
InChIKeyXEHPCVXQGRBIPJ-UHFFFAOYSA-N
XLogP0.61
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.61
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-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76951956) is 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is Cc1nn(C)c(OCC2CC2)c1C(N)=NO.
What is the InChIKey of 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is XEHPCVXQGRBIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-8(9(11)13-15)10(14(2)12-6)16-5-7-3-4-7/h7,15H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 224.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76951956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).