3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline

C15H21N3 — CID 112549341

IUPAC3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
SMILESCCc1cccc(NCc2cn(C)nc2CC)c1
InChIInChI=1S/C15H21N3/c1-4-12-7-6-8-14(9-12)16-10-13-11-18(3)17-15(13)5-2/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyPSUBYCYJNRETPQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.16
Rot. Bonds5

About 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline

3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 112549341) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
PubChem CID112549341
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
SMILESCCc1cccc(NCc2cn(C)nc2CC)c1
InChIInChI=1S/C15H21N3/c1-4-12-7-6-8-14(9-12)16-10-13-11-18(3)17-15(13)5-2/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyPSUBYCYJNRETPQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 112549443
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 115989727
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]acetonitrile
CID 75499917
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112549452
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline (CID 112549341) is 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline is CCc1cccc(NCc2cn(C)nc2CC)c1.
What is the InChIKey of 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is PSUBYCYJNRETPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-12-7-6-8-14(9-12)16-10-13-11-18(3)17-15(13)5-2/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline?
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 243.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 112549341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).