(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one

C20H13BrN2O3 — CID 98168438

IUPAC(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C(c1ccc(Br)o1)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C20H13BrN2O3/c21-16-12-11-15(26-16)19(24)17-18(13-7-3-1-4-8-13)22-23(20(17)25)14-9-5-2-6-10-14/h1-12,17H/t17-/m1/s1
InChIKeyVYORCGFMSHUBNV-QGZVFWFLSA-N
MW409.24 g/mol
LogP4.29
Rot. Bonds4

About (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one

(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 98168438) has the molecular formula C20H13BrN2O3 and a molecular weight of 409.24 g/mol. Its IUPAC name is (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID98168438
Molecular FormulaC20H13BrN2O3
Molecular Weight409.24 g/mol
Exact Mass408.01
IUPAC Name(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C(c1ccc(Br)o1)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C20H13BrN2O3/c21-16-12-11-15(26-16)19(24)17-18(13-7-3-1-4-8-13)22-23(20(17)25)14-9-5-2-6-10-14/h1-12,17H/t17-/m1/s1
InChIKeyVYORCGFMSHUBNV-QGZVFWFLSA-N
XLogP4.29
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one (CID 98168438) is (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one is O=C(c1ccc(Br)o1)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is VYORCGFMSHUBNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H13BrN2O3/c21-16-12-11-15(26-16)19(24)17-18(13-7-3-1-4-8-13)22-23(20(17)25)14-9-5-2-6-10-14/h1-12,17H/t17-/m1/s1.
What are the key properties of (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one?
(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 409.24 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 98168438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).