[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone

C20H14BrFN2O2 — CID 1386929

IUPAC[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1
InChIInChI=1S/C20H14BrFN2O2/c21-14-9-7-13(8-10-14)17-12-18(19-6-3-11-26-19)24(23-17)20(25)15-4-1-2-5-16(15)22/h1-11,18H,12H2/t18-/m1/s1
InChIKeyHEGCPHTZVRULIH-GOSISDBHSA-N
MW413.25 g/mol
LogP5.17
Rot. Bonds3

About [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone

[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone (PubChem CID 1386929) has the molecular formula C20H14BrFN2O2 and a molecular weight of 413.25 g/mol. Its IUPAC name is [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone
PubChem CID1386929
Molecular FormulaC20H14BrFN2O2
Molecular Weight413.25 g/mol
Exact Mass412.02
IUPAC Name[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1
InChIInChI=1S/C20H14BrFN2O2/c21-14-9-7-13(8-10-14)17-12-18(19-6-3-11-26-19)24(23-17)20(25)15-4-1-2-5-16(15)22/h1-11,18H,12H2/t18-/m1/s1
InChIKeyHEGCPHTZVRULIH-GOSISDBHSA-N
XLogP5.17
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.25
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone (CID 1386929) is [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1.
What is the InChIKey of [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone?
The InChIKey is HEGCPHTZVRULIH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14BrFN2O2/c21-14-9-7-13(8-10-14)17-12-18(19-6-3-11-26-19)24(23-17)20(25)15-4-1-2-5-16(15)22/h1-11,18H,12H2/t18-/m1/s1.
What are the key properties of [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone?
[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone has a molecular weight of 413.25 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 1386929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).