2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline

C18H19N3O — CID 43823571

IUPAC2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
SMILESCCOc1ccccc1NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-2-22-18-11-7-6-10-17(18)19-12-15-13-20-21(14-15)16-8-4-3-5-9-16/h3-11,13-14,19H,2,12H2,1H3
InChIKeySGWRBKFCXHYKTP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.88
Rot. Bonds6

About 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline

2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline (PubChem CID 43823571) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
PubChem CID43823571
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
SMILESCCOc1ccccc1NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3O/c1-2-22-18-11-7-6-10-17(18)19-12-15-13-20-21(14-15)16-8-4-3-5-9-16/h3-11,13-14,19H,2,12H2,1H3
InChIKeySGWRBKFCXHYKTP-UHFFFAOYSA-N
XLogP3.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-[(1-phenylpyrazol-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

N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline
CID 106935198
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide
CID 42033430
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
N-(4,5-diethoxy-2-nitrophenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 78839667
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
2-(4-tert-butylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134036059
4-chloro-2-iodo-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 107631770
2-(2,2-difluoroethoxy)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71917733

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline (CID 43823571) is 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline is CCOc1ccccc1NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline?
The InChIKey is SGWRBKFCXHYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-22-18-11-7-6-10-17(18)19-12-15-13-20-21(14-15)16-8-4-3-5-9-16/h3-11,13-14,19H,2,12H2,1H3.
What are the key properties of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline?
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline has a molecular weight of 293.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43823571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).