N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide

C20H38N6 — CID 109402515

IUPACN'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1c(CC)nn(C)c1CC)N1CCN(CC(C)C)CC1
InChIInChI=1S/C20H38N6/c1-7-18-17(19(8-2)24(6)23-18)14-22-20(21-9-3)26-12-10-25(11-13-26)15-16(4)5/h16H,7-15H2,1-6H3,(H,21,22)
InChIKeyZTFPJFQJZIULIY-UHFFFAOYSA-N
MW362.57 g/mol
LogP2.28
Rot. Bonds7

About N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide

N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide (PubChem CID 109402515) has the molecular formula C20H38N6 and a molecular weight of 362.57 g/mol. Its IUPAC name is N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide
PubChem CID109402515
Molecular FormulaC20H38N6
Molecular Weight362.57 g/mol
Exact Mass362.32
IUPAC NameN'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1c(CC)nn(C)c1CC)N1CCN(CC(C)C)CC1
InChIInChI=1S/C20H38N6/c1-7-18-17(19(8-2)24(6)23-18)14-22-20(21-9-3)26-12-10-25(11-13-26)15-16(4)5/h16H,7-15H2,1-6H3,(H,21,22)
InChIKeyZTFPJFQJZIULIY-UHFFFAOYSA-N
XLogP2.28
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 109402825
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 109402824
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 109403490
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 109400712
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide
CID 109406194
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 109405255
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109406127
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 109401071
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 109403148
1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 109401298
4-acetyl-N-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547026
N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 111327032

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide (CID 109402515) is N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide is CCN/C(=N\Cc1c(CC)nn(C)c1CC)N1CCN(CC(C)C)CC1.
What is the InChIKey of N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
The InChIKey is ZTFPJFQJZIULIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N6/c1-7-18-17(19(8-2)24(6)23-18)14-22-20(21-9-3)26-12-10-25(11-13-26)15-16(4)5/h16H,7-15H2,1-6H3,(H,21,22).
What are the key properties of N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide?
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide has a molecular weight of 362.57 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 109402515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).