N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide

C14H25N5 — CID 111153617

IUPACN',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1cnn(C)c1)N1CC(C)CC(C)C1
InChIInChI=1S/C14H25N5/c1-11-5-12(2)9-19(8-11)14(15-3)16-6-13-7-17-18(4)10-13/h7,10-12H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyTVAFPRAOPIJCBF-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.47
Rot. Bonds2

About N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide

N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111153617) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
PubChem CID111153617
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1cnn(C)c1)N1CC(C)CC(C)C1
InChIInChI=1S/C14H25N5/c1-11-5-12(2)9-19(8-11)14(15-3)16-6-13-7-17-18(4)10-13/h7,10-12H,5-6,8-9H2,1-4H3,(H,15,16)
InChIKeyTVAFPRAOPIJCBF-UHFFFAOYSA-N
XLogP1.47
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.47
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'-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144299
N',2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487359
N-[(3-fluorophenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111153144
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154644
N',3,5-trimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111153533
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153167
N',3,5-trimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111154600
4-(3-chlorophenyl)-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111186922
1-(cyclopropylmethyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111551664
N'-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741553
N-[(3-fluoro-4-methoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153784
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide (CID 111153617) is N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide is C/N=C(\NCc1cnn(C)c1)N1CC(C)CC(C)C1.
What is the InChIKey of N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is TVAFPRAOPIJCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11-5-12(2)9-19(8-11)14(15-3)16-6-13-7-17-18(4)10-13/h7,10-12H,5-6,8-9H2,1-4H3,(H,15,16).
What are the key properties of N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide?
N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 263.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111153617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).