3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide

C12H21N5 — CID 111081464

IUPAC3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cnn(C)c2)C1
InChIInChI=1S/C12H21N5/c1-10-4-3-5-17(8-10)12(13)14-6-11-7-15-16(2)9-11/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14)
InChIKeyQKCMXAYKKJFCGY-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.97
Rot. Bonds2

About 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide

3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111081464) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
PubChem CID111081464
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cnn(C)c2)C1
InChIInChI=1S/C12H21N5/c1-10-4-3-5-17(8-10)12(13)14-6-11-7-15-16(2)9-11/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14)
InChIKeyQKCMXAYKKJFCGY-UHFFFAOYSA-N
XLogP0.97
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.97
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

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'-[2-(4-methylpyrazol-1-yl)ethyl]piperidine-1-carboximidamide
CID 111806202
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
3-methyl-N'-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]piperidine-1-carboximidamide
CID 122099290
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 119147378
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-1-carboximidamide
CID 122097455

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide (CID 111081464) is 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2cnn(C)c2)C1.
What is the InChIKey of 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is QKCMXAYKKJFCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-10-4-3-5-17(8-10)12(13)14-6-11-7-15-16(2)9-11/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14).
What are the key properties of 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111081464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).