4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

C17H24ClIN6 — CID 111066916

IUPAC4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCn1cc(CC/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)cn1.I
InChIInChI=1S/C17H23ClN6.HI/c1-22-13-14(12-21-22)6-7-20-17(19)24-10-8-23(9-11-24)16-4-2-15(18)3-5-16;/h2-5,12-13H,6-11H2,1H3,(H2,19,20);1H
InChIKeyRLSARJUJSWZQEL-UHFFFAOYSA-N
MW474.78 g/mol
LogP2.37
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111066916) has the molecular formula C17H24ClIN6 and a molecular weight of 474.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111066916
Molecular FormulaC17H24ClIN6
Molecular Weight474.78 g/mol
Exact Mass474.08
IUPAC Name4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESCn1cc(CC/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)cn1.I
InChIInChI=1S/C17H23ClN6.HI/c1-22-13-14(12-21-22)6-7-20-17(19)24-10-8-23(9-11-24)16-4-2-15(18)3-5-16;/h2-5,12-13H,6-11H2,1H3,(H2,19,20);1H
InChIKeyRLSARJUJSWZQEL-UHFFFAOYSA-N
XLogP2.37
TPSA62.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.78
LogP ≤ 52.37
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'}

Analyze 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111817237
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111090615
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
4-(4-chlorophenyl)-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111071067
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N'-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111067213
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
N-ethyl-4-(4-methoxyphenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111243310

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 111066916) is 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is Cn1cc(CC/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)cn1.I.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is RLSARJUJSWZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6.HI/c1-22-13-14(12-21-22)6-7-20-17(19)24-10-8-23(9-11-24)16-4-2-15(18)3-5-16;/h2-5,12-13H,6-11H2,1H3,(H2,19,20);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 474.78 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111066916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).