2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline

C18H19N3O2 — CID 54852240

IUPAC2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
SMILESCCOc1ccc(-c2cc(COc3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-22-15-9-7-13(8-10-15)17-11-14(20-21-17)12-23-18-6-4-3-5-16(18)19/h3-11H,2,12,19H2,1H3,(H,20,21)
InChIKeyXGEGJROQAIAAAI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.64
Rot. Bonds6

About 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline

2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline (PubChem CID 54852240) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
PubChem CID54852240
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
SMILESCCOc1ccc(-c2cc(COc3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-22-15-9-7-13(8-10-15)17-11-14(20-21-17)12-23-18-6-4-3-5-16(18)19/h3-11H,2,12,19H2,1H3,(H,20,21)
InChIKeyXGEGJROQAIAAAI-UHFFFAOYSA-N
XLogP3.64
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852939
2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852045
2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853017
2-[[3-(4-phenylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852124
2-[[3-[3-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853248
2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852202
2-[[3-[3-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853020
4-[[3-(2-heptoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852118
4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852341
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
3-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54851930
3-[5-[(4-tert-butylphenoxy)methyl]-1H-pyrazol-3-yl]aniline
CID 54853371

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
The IUPAC name of 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline (CID 54852240) is 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline.
What is the SMILES notation for 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
The canonical SMILES for 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline is CCOc1ccc(-c2cc(COc3ccccc3N)[nH]n2)cc1.
What is the InChIKey of 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
The InChIKey is XGEGJROQAIAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-22-15-9-7-13(8-10-15)17-11-14(20-21-17)12-23-18-6-4-3-5-16(18)19/h3-11H,2,12,19H2,1H3,(H,20,21).
What are the key properties of 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline has a molecular weight of 309.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline is sourced from PubChem (CID 54852240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).