2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid

C22H23N3O4 — CID 173169563

IUPAC2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
SMILESCCC(=NOCCOc1cccc(CC(=O)O)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H23N3O4/c1-2-21(18-7-9-19(10-8-18)25-12-4-11-23-25)24-29-14-13-28-20-6-3-5-17(15-20)16-22(26)27/h3-12,15H,2,13-14,16H2,1H3,(H,26,27)
InChIKeyOSKGLYWZCCTXSE-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.71
Rot. Bonds10

About 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid

2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid (PubChem CID 173169563) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
PubChem CID173169563
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
SMILESCCC(=NOCCOc1cccc(CC(=O)O)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H23N3O4/c1-2-21(18-7-9-19(10-8-18)25-12-4-11-23-25)24-29-14-13-28-20-6-3-5-17(15-20)16-22(26)27/h3-12,15H,2,13-14,16H2,1H3,(H,26,27)
InChIKeyOSKGLYWZCCTXSE-UHFFFAOYSA-N
XLogP3.71
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid 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

2-[3-[2-[(E)-1-(4-pyrazol-1-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834561
2-[3-[2-[(E)-1-(4-pyridin-4-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834088
3-[3-[(E)-1-(4-pyrazol-1-ylphenyl)propylideneamino]oxypropoxy]benzoic acid
CID 87833461
sodium 2-[3-[2-[(E)-[3-methyl-1-(4-pyrazol-1-ylphenyl)butylidene]amino]oxyethoxy]phenyl]acetate
CID 87832929
2-[3-[2-[(E)-1-[4-(2-fluorophenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87833804
(E)-N-[(3-phenoxyphenyl)methoxy]-1-(4-pyrazol-1-ylphenyl)propan-1-imine
CID 141100588
2-[3-[2-[(E)-1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834265
2-[3-[2-[1-[4-(2-methoxyphenyl)phenyl]propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169351
2-[3-[2-[1-(4-pyridin-2-ylphenyl)butylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169320
2-[3-[2-[(E)-1-[4-(trifluoromethyl)phenyl]pentylideneamino]oxyethoxy]phenyl]acetic acid
CID 141100553
2-[3-[2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyethoxy]phenyl]acetic acid
CID 87834274
2-[3-[2-[[2-cyclobutyl-1-(4-phenylphenyl)ethylidene]amino]oxyethoxy]phenyl]acetic acid
CID 173169257

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid (CID 173169563) is 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid is CCC(=NOCCOc1cccc(CC(=O)O)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
The InChIKey is OSKGLYWZCCTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-21(18-7-9-19(10-8-18)25-12-4-11-23-25)24-29-14-13-28-20-6-3-5-17(15-20)16-22(26)27/h3-12,15H,2,13-14,16H2,1H3,(H,26,27).
What are the key properties of 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid?
2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid has a molecular weight of 393.44 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[1-(4-pyrazol-1-ylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid is sourced from PubChem (CID 173169563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).