N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C15H28N4O — CID 115614969

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1c(CNCCC2CCN(C)CC2)c(C)nn1C
InChIInChI=1S/C15H28N4O/c1-12-14(15(20-4)19(3)17-12)11-16-8-5-13-6-9-18(2)10-7-13/h13,16H,5-11H2,1-4H3
InChIKeyMLFJXHCAKHCHTM-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.56
Rot. Bonds6

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 115614969) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID115614969
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1c(CNCCC2CCN(C)CC2)c(C)nn1C
InChIInChI=1S/C15H28N4O/c1-12-14(15(20-4)19(3)17-12)11-16-8-5-13-6-9-18(2)10-7-13/h13,16H,5-11H2,1-4H3
InChIKeyMLFJXHCAKHCHTM-UHFFFAOYSA-N
XLogP1.56
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 28965606
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 51105068
N-cyclopropyl-2-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 53553031
1-tert-butyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 53557758
2-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53583614
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 51104849
1-[4-[(5-Methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104978
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide
CID 51105058
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbutanamide
CID 51105361
1,3-Diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine
CID 91648307
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115600694
N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114796

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 115614969) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is COc1c(CNCCC2CCN(C)CC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is MLFJXHCAKHCHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12-14(15(20-4)19(3)17-12)11-16-8-5-13-6-9-18(2)10-7-13/h13,16H,5-11H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 115614969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).