N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine

C16H24N4O — CID 79490898

IUPACN,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
SMILESCNCc1cn(C)nc1-c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H24N4O/c1-17-11-14-12-20(4)18-16(14)13-5-7-15(8-6-13)21-10-9-19(2)3/h5-8,12,17H,9-11H2,1-4H3
InChIKeyNEOYZSZAFPMXEF-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.75
Rot. Bonds7

About N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine (PubChem CID 79490898) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
PubChem CID79490898
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
SMILESCNCc1cn(C)nc1-c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H24N4O/c1-17-11-14-12-20(4)18-16(14)13-5-7-15(8-6-13)21-10-9-19(2)3/h5-8,12,17H,9-11H2,1-4H3
InChIKeyNEOYZSZAFPMXEF-UHFFFAOYSA-N
XLogP1.75
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine (CID 79490898) is N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine is CNCc1cn(C)nc1-c1ccc(OCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine?
The InChIKey is NEOYZSZAFPMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-17-11-14-12-20(4)18-16(14)13-5-7-15(8-6-13)21-10-9-19(2)3/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine has a molecular weight of 288.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine is sourced from PubChem (CID 79490898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).