(5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

C18H12Br2N2O2S — CID 3404668

IUPAC(5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1N=C(c2cccs2)CC1c1ccc(Br)cc1
InChIInChI=1S/C18H12Br2N2O2S/c19-12-5-3-11(4-6-12)14-10-13(16-2-1-9-25-16)21-22(14)18(23)15-7-8-17(20)24-15/h1-9,14H,10H2
InChIKeyUTMGSICSRHRPNP-UHFFFAOYSA-N
MW480.18 g/mol
LogP5.86
Rot. Bonds3

About (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

(5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 3404668) has the molecular formula C18H12Br2N2O2S and a molecular weight of 480.18 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID3404668
Molecular FormulaC18H12Br2N2O2S
Molecular Weight480.18 g/mol
Exact Mass477.90
IUPAC Name(5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1N=C(c2cccs2)CC1c1ccc(Br)cc1
InChIInChI=1S/C18H12Br2N2O2S/c19-12-5-3-11(4-6-12)14-10-13(16-2-1-9-25-16)21-22(14)18(23)15-7-8-17(20)24-15/h1-9,14H,10H2
InChIKeyUTMGSICSRHRPNP-UHFFFAOYSA-N
XLogP5.86
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.18
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (CID 3404668) is (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccc(Br)o1)N1N=C(c2cccs2)CC1c1ccc(Br)cc1.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is UTMGSICSRHRPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N2O2S/c19-12-5-3-11(4-6-12)14-10-13(16-2-1-9-25-16)21-22(14)18(23)15-7-8-17(20)24-15/h1-9,14H,10H2.
What are the key properties of (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
(5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 480.18 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-(4-bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 3404668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).