[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate

C24H20N2O4 — CID 1061728

IUPAC[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(-c3ccccc3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-20-12-8-18(9-13-20)24(27)30-23-16-22(17-6-4-3-5-7-17)25-26(23)19-10-14-21(29-2)15-11-19/h3-16H,1-2H3
InChIKeyWZXFWMSGMOAPSJ-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.78
Rot. Bonds6

About [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate (PubChem CID 1061728) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
PubChem CID1061728
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(-c3ccccc3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-20-12-8-18(9-13-20)24(27)30-23-16-22(17-6-4-3-5-7-17)25-26(23)19-10-14-21(29-2)15-11-19/h3-16H,1-2H3
InChIKeyWZXFWMSGMOAPSJ-UHFFFAOYSA-N
XLogP4.78
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate 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

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
CID 1061733
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl] 3-fluorobenzoate
CID 1061718
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl] naphthalene-1-carboxylate
CID 42726997
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42727332
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate
CID 42726844
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-bromobenzoate
CID 42727334
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
(4-methoxycarbonylphenyl) 4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 4862192

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate?
The IUPAC name of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate (CID 1061728) is [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate?
The canonical SMILES for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2cc(-c3ccccc3)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate?
The InChIKey is WZXFWMSGMOAPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-28-20-12-8-18(9-13-20)24(27)30-23-16-22(17-6-4-3-5-7-17)25-26(23)19-10-14-21(29-2)15-11-19/h3-16H,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate?
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate has a molecular weight of 400.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate is sourced from PubChem (CID 1061728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).