1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone

C24H16F2N2O2 — CID 53230865

IUPAC1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C24H16F2N2O2/c25-18-9-5-15(6-10-18)20-14-21(16-7-11-19(26)12-8-16)28(27-20)24(29)23-13-17-3-1-2-4-22(17)30-23/h1-13,21H,14H2
InChIKeyCGABLJPVGRRMSW-UHFFFAOYSA-N
MW402.40 g/mol
LogP5.70
Rot. Bonds3

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

1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 53230865) has the molecular formula C24H16F2N2O2 and a molecular weight of 402.40 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID53230865
Molecular FormulaC24H16F2N2O2
Molecular Weight402.40 g/mol
Exact Mass402.12
IUPAC Name1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C24H16F2N2O2/c25-18-9-5-15(6-10-18)20-14-21(16-7-11-19(26)12-8-16)28(27-20)24(29)23-13-17-3-1-2-4-22(17)30-23/h1-13,21H,14H2
InChIKeyCGABLJPVGRRMSW-UHFFFAOYSA-N
XLogP5.70
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 55.70
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-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 53230865) is 1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone is O=C(c1cc2ccccc2o1)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1.
What is the InChIKey of 1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is CGABLJPVGRRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O2/c25-18-9-5-15(6-10-18)20-14-21(16-7-11-19(26)12-8-16)28(27-20)24(29)23-13-17-3-1-2-4-22(17)30-23/h1-13,21H,14H2.
What are the key properties of 1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone?
1-benzofuran-2-yl-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 402.40 g/mol, XLogP of 5.70, 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-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 53230865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).