N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide

C14H25N5 — CID 111143810

IUPACN',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCCn1cccn1)N1CCCC(C)C1
InChIInChI=1S/C14H25N5/c1-13-6-3-9-18(12-13)14(15-2)16-7-4-10-19-11-5-8-17-19/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3,(H,15,16)
InChIKeyODMDFJUVRRWUOO-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.58
Rot. Bonds4

About N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide

N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide (PubChem CID 111143810) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
PubChem CID111143810
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide
SMILESC/N=C(\NCCCn1cccn1)N1CCCC(C)C1
InChIInChI=1S/C14H25N5/c1-13-6-3-9-18(12-13)14(15-2)16-7-4-10-19-11-5-8-17-19/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3,(H,15,16)
InChIKeyODMDFJUVRRWUOO-UHFFFAOYSA-N
XLogP1.58
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

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',3,3-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739345
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
N'-methyl-3-(2-methylpropyl)-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111734751
N'-methyl-N-(3-pyrazol-1-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206750
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115
N'-methyl-N-(3-pyrazol-1-ylpropyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744761
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906425
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904654

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide (CID 111143810) is N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide is C/N=C(\NCCCn1cccn1)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide?
The InChIKey is ODMDFJUVRRWUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-13-6-3-9-18(12-13)14(15-2)16-7-4-10-19-11-5-8-17-19/h5,8,11,13H,3-4,6-7,9-10,12H2,1-2H3,(H,15,16).
What are the key properties of N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide?
N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide has a molecular weight of 263.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111143810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).