N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine

C16H23N3O — CID 135099317

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCCn1ccc(CN(C)C(C)c2cccc(OC)c2)n1
InChIInChI=1S/C16H23N3O/c1-5-19-10-9-15(17-19)12-18(3)13(2)14-7-6-8-16(11-14)20-4/h6-11,13H,5,12H2,1-4H3
InChIKeySPBAKHOUMXTKSG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine

N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine (PubChem CID 135099317) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine
PubChem CID135099317
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine
SMILESCCn1ccc(CN(C)C(C)c2cccc(OC)c2)n1
InChIInChI=1S/C16H23N3O/c1-5-19-10-9-15(17-19)12-18(3)13(2)14-7-6-8-16(11-14)20-4/h6-11,13H,5,12H2,1-4H3
InChIKeySPBAKHOUMXTKSG-UHFFFAOYSA-N
XLogP3.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048
6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 91762891
1-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-methylthiourea
CID 19452318
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
CID 64785495
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
N-ethyl-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbutanamide
CID 94345225
(1S)-N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-nitrophenyl)ethanamine
CID 27119840
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61491656
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 114231232
N'-butan-2-yl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103729552

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine (CID 135099317) is N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine is CCn1ccc(CN(C)C(C)c2cccc(OC)c2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine?
The InChIKey is SPBAKHOUMXTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-19-10-9-15(17-19)12-18(3)13(2)14-7-6-8-16(11-14)20-4/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine?
N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 135099317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).