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

C19H30N8O — CID 119154520

IUPACN-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C19H30N8O/c1-6-20-19(22-13-16-14(2)23-25(5)15(16)3)27-11-9-26(10-12-27)17-18(28)24(4)8-7-21-17/h7-8H,6,9-13H2,1-5H3,(H,20,22)
InChIKeyZSZFIMBFIILHEG-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.42
Rot. Bonds4

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

N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide (PubChem CID 119154520) has the molecular formula C19H30N8O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide
PubChem CID119154520
Molecular FormulaC19H30N8O
Molecular Weight386.50 g/mol
Exact Mass386.25
IUPAC NameN-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C19H30N8O/c1-6-20-19(22-13-16-14(2)23-25(5)15(16)3)27-11-9-26(10-12-27)17-18(28)24(4)8-7-21-17/h7-8H,6,9-13H2,1-5H3,(H,20,22)
InChIKeyZSZFIMBFIILHEG-UHFFFAOYSA-N
XLogP0.42
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-acetyl-N-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547026
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119159184
N-ethyl-N'-(2-hydroxy-2-phenylethyl)-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153176
N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119159157
N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205239
4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119154329
1-ethyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952513
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119159109
N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119155719
N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119154058
4-(3-chlorophenyl)-N-ethyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111186613
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide (CID 119154520) is N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide is CCN/C(=N\Cc1c(C)nn(C)c1C)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide?
The InChIKey is ZSZFIMBFIILHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8O/c1-6-20-19(22-13-16-14(2)23-25(5)15(16)3)27-11-9-26(10-12-27)17-18(28)24(4)8-7-21-17/h7-8H,6,9-13H2,1-5H3,(H,20,22).
What are the key properties of N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide?
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide has a molecular weight of 386.50 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 119154520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).