1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine

C16H23N3 — CID 115761847

IUPAC1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1nccc1CNC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H23N3/c1-5-19-15(8-9-18-19)11-17-14(4)16-7-6-12(2)10-13(16)3/h6-10,14,17H,5,11H2,1-4H3
InChIKeyWGKHXFKULTVYLC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.37
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115761847) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
PubChem CID115761847
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCn1nccc1CNC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H23N3/c1-5-19-15(8-9-18-19)11-17-14(4)16-7-6-12(2)10-13(16)3/h6-10,14,17H,5,11H2,1-4H3
InChIKeyWGKHXFKULTVYLC-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682383
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762173
(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449103
1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 62350126
1-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285816

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine (CID 115761847) is 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine is CCn1nccc1CNC(C)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is WGKHXFKULTVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-19-15(8-9-18-19)11-17-14(4)16-7-6-12(2)10-13(16)3/h6-10,14,17H,5,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115761847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).