N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide

C18H25N5 — CID 120913464

IUPACN'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
SMILESCc1cc(C/N=C(/Nc2ccccc2)N2CCCCC2)n(C)n1
InChIInChI=1S/C18H25N5/c1-15-13-17(22(2)21-15)14-19-18(23-11-7-4-8-12-23)20-16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,19,20)
InChIKeyMRWIMADCZWHECM-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.18
Rot. Bonds3

About N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide

N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide (PubChem CID 120913464) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
PubChem CID120913464
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide
SMILESCc1cc(C/N=C(/Nc2ccccc2)N2CCCCC2)n(C)n1
InChIInChI=1S/C18H25N5/c1-15-13-17(22(2)21-15)14-19-18(23-11-7-4-8-12-23)20-16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,19,20)
InChIKeyMRWIMADCZWHECM-UHFFFAOYSA-N
XLogP3.18
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N'-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-1-carboximidamide;hydroiodide
CID 120913439
N-phenyl-N'-(1,3-thiazol-2-ylmethyl)piperidine-1-carboximidamide
CID 119119501
N-phenyl-N'-(pyridazin-3-ylmethyl)piperidine-1-carboximidamide
CID 120580522
N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111033624
N-phenyl-N'-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)piperidine-1-carboximidamide
CID 122099280
N'-(2-ethyl-2-hydroxybutyl)-N-phenylpiperidine-1-carboximidamide
CID 111089079
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-N-phenylpiperidine-1-carboximidamide;hydroiodide
CID 111057213
N-phenyl-N'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 119119590
N'-[2-(dimethylamino)-2-methylpropyl]-N-phenylpiperidine-1-carboximidamide
CID 111028734
N-phenyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111059786
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide (CID 120913464) is N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide is Cc1cc(C/N=C(/Nc2ccccc2)N2CCCCC2)n(C)n1.
What is the InChIKey of N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
The InChIKey is MRWIMADCZWHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-15-13-17(22(2)21-15)14-19-18(23-11-7-4-8-12-23)20-16-9-5-3-6-10-16/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3,(H,19,20).
What are the key properties of N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide?
N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide has a molecular weight of 311.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethylpyrazol-3-yl)methyl]-N-phenylpiperidine-1-carboximidamide is sourced from PubChem (CID 120913464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).