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

C16H23N3 — CID 105025629

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-5-17-16(11-14-8-9-19(4)18-14)15-10-12(2)6-7-13(15)3/h6-10,16-17H,5,11H2,1-4H3
InChIKeyKPLFRRXTPIWHQC-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds5

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

1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025629) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025629
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1cc(C)ccc1C
InChIInChI=1S/C16H23N3/c1-5-17-16(11-14-8-9-19(4)18-14)15-10-12(2)6-7-13(15)3/h6-10,16-17H,5,11H2,1-4H3
InChIKeyKPLFRRXTPIWHQC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025394
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025440
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82868513
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64770867
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025628
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025629) is 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is KPLFRRXTPIWHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-17-16(11-14-8-9-19(4)18-14)15-10-12(2)6-7-13(15)3/h6-10,16-17H,5,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).