1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine

C16H23N3 — CID 106757173

IUPAC1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NC(C)c2ccnn2C)cc1
InChIInChI=1S/C16H23N3/c1-5-14-6-8-15(9-7-14)12(2)18-13(3)16-10-11-17-19(16)4/h6-13,18H,5H2,1-4H3
InChIKeyGYIOCZOOGAGFCB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.39
Rot. Bonds5

About 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine

1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 106757173) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID106757173
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NC(C)c2ccnn2C)cc1
InChIInChI=1S/C16H23N3/c1-5-14-6-8-15(9-7-14)12(2)18-13(3)16-10-11-17-19(16)4/h6-13,18H,5H2,1-4H3
InChIKeyGYIOCZOOGAGFCB-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106756922
1-(4-ethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962866
(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63962198
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757976
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
CID 106757835
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
(1S)-1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757965

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine (CID 106757173) is 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine is CCc1ccc(C(C)NC(C)c2ccnn2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is GYIOCZOOGAGFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-14-6-8-15(9-7-14)12(2)18-13(3)16-10-11-17-19(16)4/h6-13,18H,5H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine?
1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 106757173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).