3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide

C18H25N5 — CID 111038144

IUPAC3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C18H25N5/c1-15-6-4-10-22(13-15)18(19)20-12-16-7-2-3-8-17(16)14-23-11-5-9-21-23/h2-3,5,7-9,11,15H,4,6,10,12-14H2,1H3,(H2,19,20)
InChIKeyREJONXODDJOUHJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.48
Rot. Bonds4

About 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide

3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111038144) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111038144
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccccc2Cn2cccn2)C1
InChIInChI=1S/C18H25N5/c1-15-6-4-10-22(13-15)18(19)20-12-16-7-2-3-8-17(16)14-23-11-5-9-21-23/h2-3,5,7-9,11,15H,4,6,10,12-14H2,1H3,(H2,19,20)
InChIKeyREJONXODDJOUHJ-UHFFFAOYSA-N
XLogP2.48
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.48
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'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
3-methyl-N'-[[2-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 86778441
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893190
3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111031676
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide (CID 111038144) is 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2ccccc2Cn2cccn2)C1.
What is the InChIKey of 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is REJONXODDJOUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-15-6-4-10-22(13-15)18(19)20-12-16-7-2-3-8-17(16)14-23-11-5-9-21-23/h2-3,5,7-9,11,15H,4,6,10,12-14H2,1H3,(H2,19,20).
What are the key properties of 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide?
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 311.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111038144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).