(4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

C25H20N2O5 — CID 2333893

IUPAC(4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C25H20N2O5/c1-30-20-11-9-18(10-12-20)24-21(15-27(26-24)19-6-4-3-5-7-19)25(29)32-22-13-8-17(16-28)14-23(22)31-2/h3-16H,1-2H3
InChIKeyUDRUERHBQUCEGT-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.59
Rot. Bonds7

About (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

(4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 2333893) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID2333893
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name(4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C25H20N2O5/c1-30-20-11-9-18(10-12-20)24-21(15-27(26-24)19-6-4-3-5-7-19)25(29)32-22-13-8-17(16-28)14-23(22)31-2/h3-16H,1-2H3
InChIKeyUDRUERHBQUCEGT-UHFFFAOYSA-N
XLogP4.59
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate 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

(4-formyl-2-methoxyphenyl) (Z)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
CID 2175791
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
(Z)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3-(3,4,5-trimethoxyanilino)prop-2-en-1-one
CID 127052009
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
(2-benzamido-2-oxoethyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475844
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55669333

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 2333893) is (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccc(C=O)cc2OC)cc1.
What is the InChIKey of (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is UDRUERHBQUCEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-30-20-11-9-18(10-12-20)24-21(15-27(26-24)19-6-4-3-5-7-19)25(29)32-22-13-8-17(16-28)14-23(22)31-2/h3-16H,1-2H3.
What are the key properties of (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
(4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 428.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxyphenyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2333893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).