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

C20H14Br2N2O2 — CID 3824096

IUPAC(2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Br)N1N=C(c2ccc(Br)cc2)CC1c1ccco1
InChIInChI=1S/C20H14Br2N2O2/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
InChIKeyADSVFDGJYSWCSR-UHFFFAOYSA-N
MW474.15 g/mol
LogP5.80
Rot. Bonds3

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

(2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 3824096) has the molecular formula C20H14Br2N2O2 and a molecular weight of 474.15 g/mol. Its IUPAC name is (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
PubChem CID3824096
Molecular FormulaC20H14Br2N2O2
Molecular Weight474.15 g/mol
Exact Mass471.94
IUPAC Name(2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Br)N1N=C(c2ccc(Br)cc2)CC1c1ccco1
InChIInChI=1S/C20H14Br2N2O2/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
InChIKeyADSVFDGJYSWCSR-UHFFFAOYSA-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

Analyze (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-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 (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone (CID 3824096) is (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccccc1Br)N1N=C(c2ccc(Br)cc2)CC1c1ccco1.
What is the InChIKey of (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is ADSVFDGJYSWCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2O2/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.
What are the key properties of (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone?
(2-bromophenyl)-[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 (2-bromophenyl)-[5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 3824096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).