2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C16H23N3 — CID 105101126

IUPAC2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1C(N)Cc1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-5-19-16(9-13(4)18-19)15(17)10-14-8-11(2)6-7-12(14)3/h6-9,15H,5,10,17H2,1-4H3
InChIKeyDXZQCNIDOWUGIL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.07
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105101126) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105101126
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1C(N)Cc1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-5-19-16(9-13(4)18-19)15(17)10-14-8-11(2)6-7-12(14)3/h6-9,15H,5,10,17H2,1-4H3
InChIKeyDXZQCNIDOWUGIL-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)ethanamine
CID 105091850
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
[(2-ethyl-5-methylpyrazol-3-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285400
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
1-(2-ethyl-5-methylpyrazol-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105174148

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105101126) is 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1C(N)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is DXZQCNIDOWUGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-19-16(9-13(4)18-19)15(17)10-14-8-11(2)6-7-12(14)3/h6-9,15H,5,10,17H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105101126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).