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

C19H21N3O3 — CID 54852341

IUPAC4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
SMILESCOCCOc1ccccc1-c1cc(COc2ccc(N)cc2)[nH]n1
InChIInChI=1S/C19H21N3O3/c1-23-10-11-24-19-5-3-2-4-17(19)18-12-15(21-22-18)13-25-16-8-6-14(20)7-9-16/h2-9,12H,10-11,13,20H2,1H3,(H,21,22)
InChIKeyVNOKXWWJNHINLJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.26
Rot. Bonds8

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

4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline (PubChem CID 54852341) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
PubChem CID54852341
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
SMILESCOCCOc1ccccc1-c1cc(COc2ccc(N)cc2)[nH]n1
InChIInChI=1S/C19H21N3O3/c1-23-10-11-24-19-5-3-2-4-17(19)18-12-15(21-22-18)13-25-16-8-6-14(20)7-9-16/h2-9,12H,10-11,13,20H2,1H3,(H,21,22)
InChIKeyVNOKXWWJNHINLJ-UHFFFAOYSA-N
XLogP3.26
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(2-heptoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852118
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852116
2-[[3-[3-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853248
2-[[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852939
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852240
4-[[3-(3-pentoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852303
2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853017
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The IUPAC name of 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline (CID 54852341) is 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline.
What is the SMILES notation for 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The canonical SMILES for 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline is COCCOc1ccccc1-c1cc(COc2ccc(N)cc2)[nH]n1.
What is the InChIKey of 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The InChIKey is VNOKXWWJNHINLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-23-10-11-24-19-5-3-2-4-17(19)18-12-15(21-22-18)13-25-16-8-6-14(20)7-9-16/h2-9,12H,10-11,13,20H2,1H3,(H,21,22).
What are the key properties of 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline has a molecular weight of 339.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline is sourced from PubChem (CID 54852341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).