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

C13H23N5O — CID 55242512

IUPAC5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCC1CCCN(c2c(/C(N)=N/O)c(C)nn2C)C1
InChIInChI=1S/C13H23N5O/c1-4-10-6-5-7-18(8-10)13-11(12(14)16-19)9(2)15-17(13)3/h10,19H,4-8H2,1-3H3,(H2,14,16)
InChIKeyVMOZKZIMJNWLMT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.45
Rot. Bonds3

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

5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55242512) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55242512
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCC1CCCN(c2c(/C(N)=N/O)c(C)nn2C)C1
InChIInChI=1S/C13H23N5O/c1-4-10-6-5-7-18(8-10)13-11(12(14)16-19)9(2)15-17(13)3/h10,19H,4-8H2,1-3H3,(H2,14,16)
InChIKeyVMOZKZIMJNWLMT-UHFFFAOYSA-N
XLogP1.45
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.45
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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Related Compounds

5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 43584669
5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952372
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952249
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43584190
5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952238
N'-hydroxy-1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazole-4-carboximidamide
CID 76952267
5-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 103534006
5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952250
N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide
CID 76952268
5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756175
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
CID 43590482
1-(4-carbamoyl-1,3-dimethylpyrazol-5-yl)piperidine-3-carboxylic acid
CID 63756447

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 55242512) is 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is CCC1CCCN(c2c(/C(N)=N/O)c(C)nn2C)C1.
What is the InChIKey of 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is VMOZKZIMJNWLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-10-6-5-7-18(8-10)13-11(12(14)16-19)9(2)15-17(13)3/h10,19H,4-8H2,1-3H3,(H2,14,16).
What are the key properties of 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55242512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).