methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate

C18H16N2O3 — CID 154148416

IUPACmethyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
SMILESCOC(=O)COc1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-22-17(21)13-23-18-16(14-8-4-2-5-9-14)12-20(19-18)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyIHSIRBXDCIAUHI-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.09
Rot. Bonds5

About methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate

methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate (PubChem CID 154148416) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
PubChem CID154148416
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
SMILESCOC(=O)COc1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-22-17(21)13-23-18-16(14-8-4-2-5-9-14)12-20(19-18)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyIHSIRBXDCIAUHI-UHFFFAOYSA-N
XLogP3.09
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate 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-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
CID 3046994
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-piperidin-1-ylethanone
CID 100819889
2-(1,4-diphenylpyrazol-3-yl)acetamide
CID 21418445
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide
CID 100829131
methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate
CID 806216
N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
(1,3-diphenylpyrazol-4-yl)methyl 2-methoxyacetate
CID 7700000
methyl 2-[4-[3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetate
CID 76877718
1-(4-ethylpiperazin-1-yl)-2-(4-methyl-1-phenylpyrazol-3-yl)oxyethanone
CID 100828971
1,3,4-triphenylpyrazole
CID 555882
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 100819848
methyl 2-[4-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]phenoxy]acetate
CID 55725584

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate?
The IUPAC name of methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate (CID 154148416) is methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate.
What is the SMILES notation for methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate?
The canonical SMILES for methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate is COC(=O)COc1nn(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate?
The InChIKey is IHSIRBXDCIAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-17(21)13-23-18-16(14-8-4-2-5-9-14)12-20(19-18)15-10-6-3-7-11-15/h2-12H,13H2,1H3.
What are the key properties of methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate?
methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate has a molecular weight of 308.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate is sourced from PubChem (CID 154148416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).