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

C21H33IN6O — CID 111132830

IUPAC4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1c(C)nn(C)c1C)N1CCN(c2ccccc2OC)CC1.I
InChIInChI=1S/C21H32N6O.HI/c1-16-18(17(2)25(4)24-16)10-11-23-21(22-3)27-14-12-26(13-15-27)19-8-6-7-9-20(19)28-5;/h6-9H,10-15H2,1-5H3,(H,22,23);1H
InChIKeyYWGUOURUIAILFD-UHFFFAOYSA-N
MW512.44 g/mol
LogP2.60
Rot. Bonds5

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

4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111132830) has the molecular formula C21H33IN6O and a molecular weight of 512.44 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111132830
Molecular FormulaC21H33IN6O
Molecular Weight512.44 g/mol
Exact Mass512.18
IUPAC Name4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1c(C)nn(C)c1C)N1CCN(c2ccccc2OC)CC1.I
InChIInChI=1S/C21H32N6O.HI/c1-16-18(17(2)25(4)24-16)10-11-23-21(22-3)27-14-12-26(13-15-27)19-8-6-7-9-20(19)28-5;/h6-9H,10-15H2,1-5H3,(H,22,23);1H
InChIKeyYWGUOURUIAILFD-UHFFFAOYSA-N
XLogP2.60
TPSA57.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-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-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133316
4-(2-methoxyphenyl)-N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111133606
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133688
4-(2-methoxyphenyl)-N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]piperazine-1-carboximidamide
CID 109401145
4-(2-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111133651
4-(2-methoxyphenyl)-N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperazine-1-carboximidamide
CID 111133619
methyl 3-[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]propanoate
CID 111133525
4-(2-methoxyphenyl)-N'-methyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111983705
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133048
4-(2-methoxyphenyl)-N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide
CID 111133741
N-[3-(methanesulfonamido)propyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133420
4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111133202

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 111132830) is 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1c(C)nn(C)c1C)N1CCN(c2ccccc2OC)CC1.I.
What is the InChIKey of 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is YWGUOURUIAILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O.HI/c1-16-18(17(2)25(4)24-16)10-11-23-21(22-3)27-14-12-26(13-15-27)19-8-6-7-9-20(19)28-5;/h6-9H,10-15H2,1-5H3,(H,22,23);1H.
What are the key properties of 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 512.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N'-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111132830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).