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

C24H17FN2O2 — CID 53230618

IUPAC1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C24H17FN2O2/c25-19-12-10-17(11-13-19)21-15-20(16-6-2-1-3-7-16)26-27(21)24(28)23-14-18-8-4-5-9-22(18)29-23/h1-14,21H,15H2
InChIKeyWZINBZFXTRSTPU-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.56
Rot. Bonds3

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

1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 53230618) has the molecular formula C24H17FN2O2 and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID53230618
Molecular FormulaC24H17FN2O2
Molecular Weight384.41 g/mol
Exact Mass384.13
IUPAC Name1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1
InChIInChI=1S/C24H17FN2O2/c25-19-12-10-17(11-13-19)21-15-20(16-6-2-1-3-7-16)26-27(21)24(28)23-14-18-8-4-5-9-22(18)29-23/h1-14,21H,15H2
InChIKeyWZINBZFXTRSTPU-UHFFFAOYSA-N
XLogP5.56
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Befuraline
CID 68664
Befuraline hydrochloride
CID 73346
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
5-fluoro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635529
Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 2603934
N-[(4-fluorophenyl)methyl]-1-benzofuran-2-carboxamide
CID 2668546
N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide
CID 3146754
N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 4881291
4-(1-Benzofuran-2-carbonyl)-6-benzyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 45268945
(6S)-4-(1-benzofuran-2-carbonyl)-6-benzyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 45271454

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 53230618) is 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)CC1c1ccc(F)cc1.
What is the InChIKey of 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is WZINBZFXTRSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O2/c25-19-12-10-17(11-13-19)21-15-20(16-6-2-1-3-7-16)26-27(21)24(28)23-14-18-8-4-5-9-22(18)29-23/h1-14,21H,15H2.
What are the key properties of 1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone?
1-benzofuran-2-yl-[3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 384.41 g/mol, XLogP of 5.56, 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-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 53230618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).