N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C13H24IN5 — CID 110927661

IUPACN'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1n[nH]c(C)c1C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C13H23N5.HI/c1-9-4-6-18(7-5-9)13(14)15-8-12-10(2)16-17-11(12)3;/h9H,4-8H2,1-3H3,(H2,14,15)(H,16,17);1H
InChIKeyLLEZASILPSNFKZ-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.19
Rot. Bonds2

About N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110927661) has the molecular formula C13H24IN5 and a molecular weight of 377.27 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110927661
Molecular FormulaC13H24IN5
Molecular Weight377.27 g/mol
Exact Mass377.11
IUPAC NameN'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCc1n[nH]c(C)c1C/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C13H23N5.HI/c1-9-4-6-18(7-5-9)13(14)15-8-12-10(2)16-17-11(12)3;/h9H,4-8H2,1-3H3,(H2,14,15)(H,16,17);1H
InChIKeyLLEZASILPSNFKZ-UHFFFAOYSA-N
XLogP2.19
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110927661) is N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is Cc1n[nH]c(C)c1C/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is LLEZASILPSNFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5.HI/c1-9-4-6-18(7-5-9)13(14)15-8-12-10(2)16-17-11(12)3;/h9H,4-8H2,1-3H3,(H2,14,15)(H,16,17);1H.
What are the key properties of N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110927661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).