5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C13H24N6O — CID 76952372

IUPAC5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCC1CN(c2c(C(N)=NO)c(C)nn2C)CCN1C
InChIInChI=1S/C13H24N6O/c1-5-10-8-19(7-6-17(10)3)13-11(12(14)16-20)9(2)15-18(13)4/h10,20H,5-8H2,1-4H3,(H2,14,16)
InChIKeyJCWWWDGKGASHRE-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.35
Rot. Bonds3

About 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76952372) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76952372
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCC1CN(c2c(C(N)=NO)c(C)nn2C)CCN1C
InChIInChI=1S/C13H24N6O/c1-5-10-8-19(7-6-17(10)3)13-11(12(14)16-20)9(2)15-18(13)4/h10,20H,5-8H2,1-4H3,(H2,14,16)
InChIKeyJCWWWDGKGASHRE-UHFFFAOYSA-N
XLogP0.35
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76952372) is 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is CCC1CN(c2c(C(N)=NO)c(C)nn2C)CCN1C.
What is the InChIKey of 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is JCWWWDGKGASHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-5-10-8-19(7-6-17(10)3)13-11(12(14)16-20)9(2)15-18(13)4/h10,20H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 280.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76952372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).