(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one

C15H12N2O3 — CID 821635

IUPAC(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccco1
InChIInChI=1S/C15H12N2O3/c1-10-13(14(18)12-8-5-9-20-12)15(19)17(16-10)11-6-3-2-4-7-11/h2-9,13H,1H3/t13-/m1/s1
InChIKeyAMSWNUWFGDJHEJ-CYBMUJFWSA-N
MW268.27 g/mol
LogP2.50
Rot. Bonds3

About (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one

(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one (PubChem CID 821635) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
PubChem CID821635
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccco1
InChIInChI=1S/C15H12N2O3/c1-10-13(14(18)12-8-5-9-20-12)15(19)17(16-10)11-6-3-2-4-7-11/h2-9,13H,1H3/t13-/m1/s1
InChIKeyAMSWNUWFGDJHEJ-CYBMUJFWSA-N
XLogP2.50
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.50
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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Related Compounds

4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
(4S)-N-(furan-2-ylmethyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 98258659
(4S)-5-methyl-2-phenyl-4-(4-phenylbenzoyl)-4H-pyrazol-3-one
CID 1380485
N-benzyl-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 71939648
(4R)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577604
(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603
(4S)-4-(3,4-dimethoxybenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98196385
5-methyl-4-octanoyl-2-phenyl-4H-pyrazol-3-one
CID 4166075
4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 5013473
3-methyl-5-oxo-1-phenyl-N-pyridin-4-yl-4H-pyrazole-4-carboxamide
CID 139433268
(4R)-4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98449492
4-[(Z)-N-[(E)-benzylideneamino]-C-methylcarbonimidoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 177435679

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one (CID 821635) is (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccco1.
What is the InChIKey of (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is AMSWNUWFGDJHEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-13(14(18)12-8-5-9-20-12)15(19)17(16-10)11-6-3-2-4-7-11/h2-9,13H,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one?
(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 268.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 821635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).