N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide

C17H24N6 — CID 110962115

IUPACN'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCn1cccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6/c1-18-17(19-9-11-23-10-5-8-20-23)22-14-12-21(13-15-22)16-6-3-2-4-7-16/h2-8,10H,9,11-15H2,1H3,(H,18,19)
InChIKeyQHHMUKMAIXVRLD-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.28
Rot. Bonds4

About N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide

N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide (PubChem CID 110962115) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
PubChem CID110962115
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCn1cccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H24N6/c1-18-17(19-9-11-23-10-5-8-20-23)22-14-12-21(13-15-22)16-6-3-2-4-7-16/h2-8,10H,9,11-15H2,1H3,(H,18,19)
InChIKeyQHHMUKMAIXVRLD-UHFFFAOYSA-N
XLogP1.28
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.28
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'}

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Related Compounds

4-(3-chlorophenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111186629
4-(2-hydroxyphenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111185396
N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 110934489
N'-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110934488
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
4-(5-chloro-2-methylphenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111264168
N'-methyl-N-(3-pyrazol-1-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206750
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenylpiperazine-1-carboximidamide
CID 110961665
N'-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961274
N-ethyl-4-(4-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111165344
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380
N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111546845

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide (CID 110962115) is N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide is C/N=C(\NCCn1cccn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide?
The InChIKey is QHHMUKMAIXVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-18-17(19-9-11-23-10-5-8-20-23)22-14-12-21(13-15-22)16-6-3-2-4-7-16/h2-8,10H,9,11-15H2,1H3,(H,18,19).
What are the key properties of N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide?
N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide has a molecular weight of 312.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110962115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).