2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine

C16H23N3O — CID 82693670

IUPAC2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCc1cc(CC)n(C(CN)c2cccc(OC)c2)n1
InChIInChI=1S/C16H23N3O/c1-4-13-10-14(5-2)19(18-13)16(11-17)12-7-6-8-15(9-12)20-3/h6-10,16H,4-5,11,17H2,1-3H3
InChIKeyKDTUPEITHHZJCY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.56
Rot. Bonds6

About 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine

2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 82693670) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID82693670
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCCc1cc(CC)n(C(CN)c2cccc(OC)c2)n1
InChIInChI=1S/C16H23N3O/c1-4-13-10-14(5-2)19(18-13)16(11-17)12-7-6-8-15(9-12)20-3/h6-10,16H,4-5,11,17H2,1-3H3
InChIKeyKDTUPEITHHZJCY-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-(3,5-diethylpyrazol-1-yl)-N-methyl-2-phenylethanamine
CID 82694866
1-(3,5-diethylpyrazol-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 82692322
[(3-ethyl-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283558
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
1-[2-amino-1-(3-methoxyphenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 115944592
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
CID 16642768
2-(3-methoxyphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742931
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine (CID 82693670) is 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine is CCc1cc(CC)n(C(CN)c2cccc(OC)c2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is KDTUPEITHHZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-13-10-14(5-2)19(18-13)16(11-17)12-7-6-8-15(9-12)20-3/h6-10,16H,4-5,11,17H2,1-3H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine?
2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82693670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).