N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

C19H29IN6 — CID 110961274

IUPACN'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCn1cc(C)cn1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C19H28N6.HI/c1-17-15-22-25(16-17)10-6-9-21-19(20-2)24-13-11-23(12-14-24)18-7-4-3-5-8-18;/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,21);1H
InChIKeyIQMGUKHDBHPAPO-UHFFFAOYSA-N
MW468.39 g/mol
LogP2.60
Rot. Bonds5

About N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide

N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110961274) has the molecular formula C19H29IN6 and a molecular weight of 468.39 g/mol. Its IUPAC name is N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110961274
Molecular FormulaC19H29IN6
Molecular Weight468.39 g/mol
Exact Mass468.15
IUPAC NameN'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCn1cc(C)cn1)N1CCN(c2ccccc2)CC1.I
InChIInChI=1S/C19H28N6.HI/c1-17-15-22-25(16-17)10-6-9-21-19(20-2)24-13-11-23(12-14-24)18-7-4-3-5-8-18;/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,21);1H
InChIKeyIQMGUKHDBHPAPO-UHFFFAOYSA-N
XLogP2.60
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-fluorophenyl)-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111148895
3-benzyl-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111724857
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenylpiperazine-1-carboximidamide
CID 110961665
4-(furan-2-carbonyl)-N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide
CID 111168013
N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 110962115
N'-methyl-4-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962058
N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962140
N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111210597
N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441716
N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111749009
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
N',2,2,3,3-pentamethyl-N-[3-(4-methylpyrazol-1-yl)propyl]azetidine-1-carboximidamide;hydroiodide
CID 109451900

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide (CID 110961274) is N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCCn1cc(C)cn1)N1CCN(c2ccccc2)CC1.I.
What is the InChIKey of N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is IQMGUKHDBHPAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6.HI/c1-17-15-22-25(16-17)10-6-9-21-19(20-2)24-13-11-23(12-14-24)18-7-4-3-5-8-18;/h3-5,7-8,15-16H,6,9-14H2,1-2H3,(H,20,21);1H.
What are the key properties of N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 468.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110961274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).