3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide

C13H23N5 — CID 111806202

IUPAC3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCc1cnn(CC/N=C(\N)N2CCCC(C)C2)c1
InChIInChI=1S/C13H23N5/c1-11-4-3-6-17(9-11)13(14)15-5-7-18-10-12(2)8-16-18/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15)
InChIKeyVFYBUYXNLUWFNO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.24
Rot. Bonds3

About 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide

3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111806202) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111806202
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCc1cnn(CC/N=C(\N)N2CCCC(C)C2)c1
InChIInChI=1S/C13H23N5/c1-11-4-3-6-17(9-11)13(14)15-5-7-18-10-12(2)8-16-18/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15)
InChIKeyVFYBUYXNLUWFNO-UHFFFAOYSA-N
XLogP1.24
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
3-methyl-N'-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboximidamide
CID 111802470
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-[2-(4-bromopyrazol-1-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 120973640
3-methyl-N'-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]piperidine-1-carboximidamide
CID 122099290
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111062038

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide (CID 111806202) is 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide is Cc1cnn(CC/N=C(\N)N2CCCC(C)C2)c1.
What is the InChIKey of 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is VFYBUYXNLUWFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11-4-3-6-17(9-11)13(14)15-5-7-18-10-12(2)8-16-18/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15).
What are the key properties of 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide?
3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 249.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111806202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).