2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline

C16H23N3O — CID 43750254

IUPAC2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCCOCc1ccccc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O/c1-5-20-11-14-8-6-7-9-16(14)17-10-15-12(2)18-19(4)13(15)3/h6-9,17H,5,10-11H2,1-4H3
InChIKeyKRFQILAAUBAQBB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.19
Rot. Bonds6

About 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline

2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (PubChem CID 43750254) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
PubChem CID43750254
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCCOCc1ccccc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O/c1-5-20-11-14-8-6-7-9-16(14)17-10-15-12(2)18-19(4)13(15)3/h6-9,17H,5,10-11H2,1-4H3
InChIKeyKRFQILAAUBAQBB-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(ethoxymethyl)phenyl]methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111950707
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
5-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86782947
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 126842216
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181
2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558
2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 43580157
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
CID 43792111

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (CID 43750254) is 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is CCOCc1ccccc1NCc1c(C)nn(C)c1C.
What is the InChIKey of 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The InChIKey is KRFQILAAUBAQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-20-11-14-8-6-7-9-16(14)17-10-15-12(2)18-19(4)13(15)3/h6-9,17H,5,10-11H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline has a molecular weight of 273.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43750254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).