4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one

C20H13BrN2O3 — CID 42141336

IUPAC4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=C(c1ccc(Br)o1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
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/h1-12,22H
InChIKeyPKYTVOBMQTVQOM-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.42
Rot. Bonds4

About 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one

4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 42141336) has the molecular formula C20H13BrN2O3 and a molecular weight of 409.24 g/mol. Its IUPAC name is 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID42141336
Molecular FormulaC20H13BrN2O3
Molecular Weight409.24 g/mol
Exact Mass408.01
IUPAC Name4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one
SMILESO=C(c1ccc(Br)o1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
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/h1-12,22H
InChIKeyPKYTVOBMQTVQOM-UHFFFAOYSA-N
XLogP4.42
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one
CID 12053553
4-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728564
4-(C-methyl-N-phenylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135794298
4-(N-cyclopropyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728399
1-amino-3-phenylurea;2,5-diphenyl-4-(thiophene-2-carbonyl)-1H-pyrazol-3-one
CID 175414926
4-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728590
4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728402
4-(N-butyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
CID 135728374
4-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135415018
(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one
CID 98168438
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
3-methyl-N-[(E)-1-(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)ethylideneamino]butanamide
CID 135644575

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one (CID 42141336) is 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one is O=C(c1ccc(Br)o1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is PKYTVOBMQTVQOM-UHFFFAOYSA-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/h1-12,22H.
What are the key properties of 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one?
4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 409.24 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 42141336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).