3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide

C17H23N5 — CID 111063356

IUPAC3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C17H23N5/c1-14-4-2-10-21(13-14)17(18)19-12-15-5-7-16(8-6-15)22-11-3-9-20-22/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H2,18,19)
InChIKeyOGBBJICJJPCBOF-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide

3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide (PubChem CID 111063356) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
PubChem CID111063356
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C17H23N5/c1-14-4-2-10-21(13-14)17(18)19-12-15-5-7-16(8-6-15)22-11-3-9-20-22/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H2,18,19)
InChIKeyOGBBJICJJPCBOF-UHFFFAOYSA-N
XLogP2.42
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.42
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'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 120913558
1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916114
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308
4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 110920726
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide (CID 111063356) is 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is OGBBJICJJPCBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-4-2-10-21(13-14)17(18)19-12-15-5-7-16(8-6-15)22-11-3-9-20-22/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H2,18,19).
What are the key properties of 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide?
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 297.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111063356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).