N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide

C17H31N5 — CID 111210419

IUPACN-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(C)nn(C)c1C)N1CCC(C)CC1
InChIInChI=1S/C17H31N5/c1-6-18-17(22-11-8-13(2)9-12-22)19-10-7-16-14(3)20-21(5)15(16)4/h13H,6-12H2,1-5H3,(H,18,19)
InChIKeyMWGLLNLREIHXAQ-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.28
Rot. Bonds4

About N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide

N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111210419) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111210419
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC NameN-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(C)nn(C)c1C)N1CCC(C)CC1
InChIInChI=1S/C17H31N5/c1-6-18-17(22-11-8-13(2)9-12-22)19-10-7-16-14(3)20-21(5)15(16)4/h13H,6-12H2,1-5H3,(H,18,19)
InChIKeyMWGLLNLREIHXAQ-UHFFFAOYSA-N
XLogP2.28
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.28
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

1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111255887
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
CID 109449047
N-ethyl-4-(4-methoxyphenyl)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111242405
4-(3-chlorophenyl)-N-ethyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111186613
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579
N-ethyl-4-[(E)-3-phenylprop-2-enyl]-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111218442
N-ethyl-4-[3-(trifluoromethyl)phenyl]-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111233989
4-acetyl-N-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547026
N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119154058
N-ethyl-4-methyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109401616
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111212030
N-ethyl-4-methyl-N'-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210716

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide (CID 111210419) is N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide is CCN/C(=N\CCc1c(C)nn(C)c1C)N1CCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is MWGLLNLREIHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-6-18-17(22-11-8-13(2)9-12-22)19-10-7-16-14(3)20-21(5)15(16)4/h13H,6-12H2,1-5H3,(H,18,19).
What are the key properties of N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide?
N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 305.47 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111210419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).