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

C16H23N3O2 — CID 115885541

IUPAC3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
SMILESCCOc1cc(NCc2cn(C)nc2CC)ccc1OC
InChIInChI=1S/C16H23N3O2/c1-5-14-12(11-19(3)18-14)10-17-13-7-8-15(20-4)16(9-13)21-6-2/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyLOMQPVMHPFCAKI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.00
Rot. Bonds7

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

3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline (PubChem CID 115885541) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
PubChem CID115885541
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
SMILESCCOc1cc(NCc2cn(C)nc2CC)ccc1OC
InChIInChI=1S/C16H23N3O2/c1-5-14-12(11-19(3)18-14)10-17-13-7-8-15(20-4)16(9-13)21-6-2/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyLOMQPVMHPFCAKI-UHFFFAOYSA-N
XLogP3.00
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 115885486
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
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-benzothiazol-6-amine
CID 103894044
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 115989727

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline?
The IUPAC name of 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline (CID 115885541) is 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline?
The canonical SMILES for 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline is CCOc1cc(NCc2cn(C)nc2CC)ccc1OC.
What is the InChIKey of 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline?
The InChIKey is LOMQPVMHPFCAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-14-12(11-19(3)18-14)10-17-13-7-8-15(20-4)16(9-13)21-6-2/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline?
3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline has a molecular weight of 289.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline is sourced from PubChem (CID 115885541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).