N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline

C17H25N3O — CID 43792111

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-5-21-13-15-8-6-7-9-16(15)18-10-14-11-19-20(12-14)17(2,3)4/h6-9,11-12,18H,5,10,13H2,1-4H3
InChIKeyWENROSAHXIIFHS-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.79
Rot. Bonds6

About N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline

N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline (PubChem CID 43792111) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
PubChem CID43792111
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-5-21-13-15-8-6-7-9-16(15)18-10-14-11-19-20(12-14)17(2,3)4/h6-9,11-12,18H,5,10,13H2,1-4H3
InChIKeyWENROSAHXIIFHS-UHFFFAOYSA-N
XLogP3.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681132
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 43765327
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
N-[(1-tert-butylpyrazol-4-yl)methyl]-2,5-difluoroaniline
CID 43759683
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881
2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43750254

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline (CID 43792111) is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline?
The InChIKey is WENROSAHXIIFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-21-13-15-8-6-7-9-16(15)18-10-14-11-19-20(12-14)17(2,3)4/h6-9,11-12,18H,5,10,13H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline?
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline has a molecular weight of 287.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 43792111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).