methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate

C30H24N2O3 — CID 11612322

IUPACmethyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C30H24N2O3/c1-34-30(33)25-19-11-12-20-27(25)35-21-26-28(22-13-5-2-6-14-22)29(23-15-7-3-8-16-23)31-32(26)24-17-9-4-10-18-24/h2-20H,21H2,1H3
InChIKeyVQIYYRWKVWMKQA-UHFFFAOYSA-N
MW460.53 g/mol
LogP6.57
Rot. Bonds7

About methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate

methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate (PubChem CID 11612322) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate
PubChem CID11612322
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC Namemethyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C30H24N2O3/c1-34-30(33)25-19-11-12-20-27(25)35-21-26-28(22-13-5-2-6-14-22)29(23-15-7-3-8-16-23)31-32(26)24-17-9-4-10-18-24/h2-20H,21H2,1H3
InChIKeyVQIYYRWKVWMKQA-UHFFFAOYSA-N
XLogP6.57
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate 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

methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
dimethyl 3-[2-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388381
dimethyl 1-phenyl-3-(2-phenylphenyl)pyrazole-4,5-dicarboxylate
CID 169387538
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
2-O-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505614
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
CID 15942029
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate?
The IUPAC name of methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate (CID 11612322) is methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate.
What is the SMILES notation for methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate?
The canonical SMILES for methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate is COC(=O)c1ccccc1OCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate?
The InChIKey is VQIYYRWKVWMKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c1-34-30(33)25-19-11-12-20-27(25)35-21-26-28(22-13-5-2-6-14-22)29(23-15-7-3-8-16-23)31-32(26)24-17-9-4-10-18-24/h2-20H,21H2,1H3.
What are the key properties of methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate?
methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate has a molecular weight of 460.53 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate is sourced from PubChem (CID 11612322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).