1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone

C25H20N2O3 — CID 52952782

IUPAC1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H20N2O3/c1-29-20-13-11-18(12-14-20)22-16-21(17-7-3-2-4-8-17)26-27(22)25(28)24-15-19-9-5-6-10-23(19)30-24/h2-15,22H,16H2,1H3
InChIKeyNWRNRIGMFHEGKG-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.43
Rot. Bonds4

About 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone

1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 52952782) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID52952782
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H20N2O3/c1-29-20-13-11-18(12-14-20)22-16-21(17-7-3-2-4-8-17)26-27(22)25(28)24-15-19-9-5-6-10-23(19)30-24/h2-15,22H,16H2,1H3
InChIKeyNWRNRIGMFHEGKG-UHFFFAOYSA-N
XLogP5.43
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 52952782) is 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is NWRNRIGMFHEGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-29-20-13-11-18(12-14-20)22-16-21(17-7-3-2-4-8-17)26-27(22)25(28)24-15-19-9-5-6-10-23(19)30-24/h2-15,22H,16H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 396.45 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 52952782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).