1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

C15H21N3O — CID 62449080

IUPAC1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCn1nc(C)cc1C
InChIInChI=1S/C15H21N3O/c1-12-10-13(2)18(17-12)8-9-19-15-7-5-4-6-14(15)11-16-3/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyOIXHEAUTSPCIGC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds6

About 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62449080) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62449080
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCn1nc(C)cc1C
InChIInChI=1S/C15H21N3O/c1-12-10-13(2)18(17-12)8-9-19-15-7-5-4-6-14(15)11-16-3/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyOIXHEAUTSPCIGC-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarbothioamide
CID 43290858
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 78804066
1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446861
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111278820
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline
CID 62497089
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55506427
N'-[2-(2-benzylphenoxy)acetyl]-2-(3,5-dimethylpyrazol-1-yl)acetohydrazide
CID 7780034
(2S)-1-[2-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25485763
1-[(2-cyclobutyloxyphenyl)methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111625811
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62449080) is 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCCn1nc(C)cc1C.
What is the InChIKey of 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is OIXHEAUTSPCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-10-13(2)18(17-12)8-9-19-15-7-5-4-6-14(15)11-16-3/h4-7,10,16H,8-9,11H2,1-3H3.
What are the key properties of 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62449080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).