2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

C16H23N3 — CID 103001281

IUPAC2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCCc1cccc(CC)c1NCCc1ccnn1C
InChIInChI=1S/C16H23N3/c1-4-13-7-6-8-14(5-2)16(13)17-11-9-15-10-12-18-19(15)3/h6-8,10,12,17H,4-5,9,11H2,1-3H3
InChIKeyMKIZVQVINYPVOA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.20
Rot. Bonds6

About 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 103001281) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID103001281
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCCc1cccc(CC)c1NCCc1ccnn1C
InChIInChI=1S/C16H23N3/c1-4-13-7-6-8-14(5-2)16(13)17-11-9-15-10-12-18-19(15)3/h6-8,10,12,17H,4-5,9,11H2,1-3H3
InChIKeyMKIZVQVINYPVOA-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103002231
1-(2,6-diethylphenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]guanidine;hydroiodide
CID 110050296
2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 104925404
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 102608181
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 113442450
N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-1-amine
CID 103001636
1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-amine
CID 103001663
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 103000564
3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103007002

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (CID 103001281) is 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is CCc1cccc(CC)c1NCCc1ccnn1C.
What is the InChIKey of 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is MKIZVQVINYPVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-13-7-6-8-14(5-2)16(13)17-11-9-15-10-12-18-19(15)3/h6-8,10,12,17H,4-5,9,11H2,1-3H3.
What are the key properties of 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 257.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 103001281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).