4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide

C17H29IN6O — CID 119154329

IUPAC4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C17H28N6O.HI/c1-5-18-17(19-10-15-12(2)20-21(4)13(15)3)22-8-9-23(14-6-7-14)16(24)11-22;/h14H,5-11H2,1-4H3,(H,18,19);1H
InChIKeyWFSZDEJEMXIYLF-UHFFFAOYSA-N
MW460.36 g/mol
LogP1.43
Rot. Bonds4

About 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide

4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 119154329) has the molecular formula C17H29IN6O and a molecular weight of 460.36 g/mol. Its IUPAC name is 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID119154329
Molecular FormulaC17H29IN6O
Molecular Weight460.36 g/mol
Exact Mass460.14
IUPAC Name4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C17H28N6O.HI/c1-5-18-17(19-10-15-12(2)20-21(4)13(15)3)22-8-9-23(14-6-7-14)16(24)11-22;/h14H,5-11H2,1-4H3,(H,18,19);1H
InChIKeyWFSZDEJEMXIYLF-UHFFFAOYSA-N
XLogP1.43
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 51.43
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'}, {'alert_name': 'iodine', '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
4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119158866
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119154397
N-ethyl-3-(methoxymethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119154058
4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119158923
N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
CID 119157402
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide
CID 119154520
4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119155547
4-cyclopropyl-N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119152889
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
CID 119158926
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119158924

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 119154329) is 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1c(C)nn(C)c1C)N1CCN(C2CC2)C(=O)C1.I.
What is the InChIKey of 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is WFSZDEJEMXIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O.HI/c1-5-18-17(19-10-15-12(2)20-21(4)13(15)3)22-8-9-23(14-6-7-14)16(24)11-22;/h14H,5-11H2,1-4H3,(H,18,19);1H.
What are the key properties of 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 460.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119154329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).