3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline

C16H23N3O2 — CID 62126887

IUPAC3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
SMILESCCOc1ccc(NCc2cnn(CC)c2)cc1OCC
InChIInChI=1S/C16H23N3O2/c1-4-19-12-13(11-18-19)10-17-14-7-8-15(20-5-2)16(9-14)21-6-3/h7-9,11-12,17H,4-6,10H2,1-3H3
InChIKeyDGVZRSBMGJMLBA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.31
Rot. Bonds8

About 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline

3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline (PubChem CID 62126887) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
PubChem CID62126887
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
SMILESCCOc1ccc(NCc2cnn(CC)c2)cc1OCC
InChIInChI=1S/C16H23N3O2/c1-4-19-12-13(11-18-19)10-17-14-7-8-15(20-5-2)16(9-14)21-6-3/h7-9,11-12,17H,4-6,10H2,1-3H3
InChIKeyDGVZRSBMGJMLBA-UHFFFAOYSA-N
XLogP3.31
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62128291
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
3-chloro-4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54864079
5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione
CID 103569190
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19344221
ethyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569198
N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline (CID 62126887) is 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline is CCOc1ccc(NCc2cnn(CC)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The InChIKey is DGVZRSBMGJMLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19-12-13(11-18-19)10-17-14-7-8-15(20-5-2)16(9-14)21-6-3/h7-9,11-12,17H,4-6,10H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 62126887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).