N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

C16H23N3O2 — CID 105145779

IUPACN-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1OC)c1cnn(C)c1C
InChIInChI=1S/C16H23N3O2/c1-6-17-16(14-10-18-19(3)11(14)2)13-9-12(20-4)7-8-15(13)21-5/h7-10,16-17H,6H2,1-5H3
InChIKeyJCVHIQRUZCFQJK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.44
Rot. Bonds6

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

N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 105145779) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID105145779
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1OC)c1cnn(C)c1C
InChIInChI=1S/C16H23N3O2/c1-6-17-16(14-10-18-19(3)11(14)2)13-9-12(20-4)7-8-15(13)21-5/h7-10,16-17H,6H2,1-5H3
InChIKeyJCVHIQRUZCFQJK-UHFFFAOYSA-N
XLogP2.44
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489
1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
CID 110010175
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105164576
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142484
N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923564
N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136936

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (CID 105145779) is N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cc(OC)ccc1OC)c1cnn(C)c1C.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is JCVHIQRUZCFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-17-16(14-10-18-19(3)11(14)2)13-9-12(20-4)7-8-15(13)21-5/h7-10,16-17H,6H2,1-5H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105145779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).