N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline

C15H21N3O — CID 79578562

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NCc2cnn(C)c2C)c(C)c1
InChIInChI=1S/C15H21N3O/c1-5-19-14-6-7-15(11(2)8-14)16-9-13-10-17-18(4)12(13)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyGQBDMCYBFQZRDC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.05
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline (PubChem CID 79578562) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
PubChem CID79578562
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NCc2cnn(C)c2C)c(C)c1
InChIInChI=1S/C15H21N3O/c1-5-19-14-6-7-15(11(2)8-14)16-9-13-10-17-18(4)12(13)3/h6-8,10,16H,5,9H2,1-4H3
InChIKeyGQBDMCYBFQZRDC-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-nitroaniline
CID 79569430
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54865353
methyl 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 79578378
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-diethoxyaniline
CID 79568768
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline (CID 79578562) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline is CCOc1ccc(NCc2cnn(C)c2C)c(C)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline?
The InChIKey is GQBDMCYBFQZRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-19-14-6-7-15(11(2)8-14)16-9-13-10-17-18(4)12(13)3/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline has a molecular weight of 259.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline is sourced from PubChem (CID 79578562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).