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

C20H14Br2N2O2 — CID 40971632

IUPAC(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1
InChIInChI=1S/C20H14Br2N2O2/c21-15-7-3-13(4-8-15)17-12-18(19-2-1-11-26-19)24(23-17)20(25)14-5-9-16(22)10-6-14/h1-11,18H,12H2/t18-/m1/s1
InChIKeyPVYKKSXDBRIQHE-GOSISDBHSA-N
MW474.15 g/mol
LogP5.80
Rot. Bonds3

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

(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 40971632) has the molecular formula C20H14Br2N2O2 and a molecular weight of 474.15 g/mol. Its IUPAC name is (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID40971632
Molecular FormulaC20H14Br2N2O2
Molecular Weight474.15 g/mol
Exact Mass471.94
IUPAC Name(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1
InChIInChI=1S/C20H14Br2N2O2/c21-15-7-3-13(4-8-15)17-12-18(19-2-1-11-26-19)24(23-17)20(25)14-5-9-16(22)10-6-14/h1-11,18H,12H2/t18-/m1/s1
InChIKeyPVYKKSXDBRIQHE-GOSISDBHSA-N
XLogP5.80
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.15
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1039127
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
N-[4-[(3S)-2-benzoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 1244835
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
(5-bromofuran-2-yl)-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952565
(5-bromofuran-2-yl)-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 6547307
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 41084633
[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 851183
1-[(3S)-3-(furan-2-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135816859
[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
CID 135541366
(2-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 992022

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone (CID 40971632) is (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccc(Br)cc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1.
What is the InChIKey of (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is PVYKKSXDBRIQHE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H14Br2N2O2/c21-15-7-3-13(4-8-15)17-12-18(19-2-1-11-26-19)24(23-17)20(25)14-5-9-16(22)10-6-14/h1-11,18H,12H2/t18-/m1/s1.
What are the key properties of (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 474.15 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 40971632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).