N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide

C10H18N4O — CID 112713857

IUPACN'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide
SMILESCCC(CC)n1ncc(/C(N)=N\O)c1C
InChIInChI=1S/C10H18N4O/c1-4-8(5-2)14-7(3)9(6-12-14)10(11)13-15/h6,8,15H,4-5H2,1-3H3,(H2,11,13)
InChIKeyRSADYTLSQGTABF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds4

About N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide

N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide (PubChem CID 112713857) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide
PubChem CID112713857
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide
SMILESCCC(CC)n1ncc(/C(N)=N\O)c1C
InChIInChI=1S/C10H18N4O/c1-4-8(5-2)14-7(3)9(6-12-14)10(11)13-15/h6,8,15H,4-5H2,1-3H3,(H2,11,13)
InChIKeyRSADYTLSQGTABF-UHFFFAOYSA-N
XLogP1.65
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
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 N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide (CID 112713857) is N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide is CCC(CC)n1ncc(/C(N)=N\O)c1C.
What is the InChIKey of N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide?
The InChIKey is RSADYTLSQGTABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-8(5-2)14-7(3)9(6-12-14)10(11)13-15/h6,8,15H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide?
N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide has a molecular weight of 210.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-1-pentan-3-ylpyrazole-4-carboximidamide is sourced from PubChem (CID 112713857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).