5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C28H22N2O2 — CID 102303760

IUPAC5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2cc3c(ccc4ccccc43)o2)=NN1c1ccccc1
InChIInChI=1S/C28H22N2O2/c1-31-26-14-8-7-13-22(26)25-18-24(29-30(25)20-10-3-2-4-11-20)28-17-23-21-12-6-5-9-19(21)15-16-27(23)32-28/h2-17,25H,18H2,1H3
InChIKeyYJEUGWBYHKSEKB-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.95
Rot. Bonds4

About 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 102303760) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID102303760
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2cc3c(ccc4ccccc43)o2)=NN1c1ccccc1
InChIInChI=1S/C28H22N2O2/c1-31-26-14-8-7-13-22(26)25-18-24(29-30(25)20-10-3-2-4-11-20)28-17-23-21-12-6-5-9-19(21)15-16-27(23)32-28/h2-17,25H,18H2,1H3
InChIKeyYJEUGWBYHKSEKB-UHFFFAOYSA-N
XLogP6.95
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
CID 177249154
2-[3-(2,3-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249178
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
4-hydroxy-3-[3-(2-hydroxy-3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 137242197
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
2-[3-(3,5-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]naphthalen-1-ol
CID 177249073
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 46934356
3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 177249115
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008

Frequently Asked Questions

What is the IUPAC name of 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 102303760) is 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccccc1C1CC(c2cc3c(ccc4ccccc43)o2)=NN1c1ccccc1.
What is the InChIKey of 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is YJEUGWBYHKSEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-31-26-14-8-7-13-22(26)25-18-24(29-30(25)20-10-3-2-4-11-20)28-17-23-21-12-6-5-9-19(21)15-16-27(23)32-28/h2-17,25H,18H2,1H3.
What are the key properties of 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 418.50 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 102303760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).