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

C25H20N2O2 — CID 52952783

IUPAC1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H20N2O2/c1-17-11-13-19(14-12-17)22-16-21(18-7-3-2-4-8-18)26-27(22)25(28)24-15-20-9-5-6-10-23(20)29-24/h2-15,22H,16H2,1H3
InChIKeyZJCDMPMMYYXGTB-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.73
Rot. Bonds3

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

1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 52952783) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID52952783
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESCc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H20N2O2/c1-17-11-13-19(14-12-17)22-16-21(18-7-3-2-4-8-18)26-27(22)25(28)24-15-20-9-5-6-10-23(20)29-24/h2-15,22H,16H2,1H3
InChIKeyZJCDMPMMYYXGTB-UHFFFAOYSA-N
XLogP5.73
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 52952783) is 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is ZJCDMPMMYYXGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-17-11-13-19(14-12-17)22-16-21(18-7-3-2-4-8-18)26-27(22)25(28)24-15-20-9-5-6-10-23(20)29-24/h2-15,22H,16H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 52952783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).