2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one

C15H15FN2O2 — CID 2730660

IUPAC2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)C2CC2)C(=O)C1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c1-9-13(8-10-2-6-12(16)7-3-10)15(20)18(17-9)14(19)11-4-5-11/h2-3,6-7,11,13H,4-5,8H2,1H3
InChIKeyHLCYUOANYGOLSY-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.14
Rot. Bonds3

About 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one

2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one (PubChem CID 2730660) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one
PubChem CID2730660
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C(=O)C2CC2)C(=O)C1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c1-9-13(8-10-2-6-12(16)7-3-10)15(20)18(17-9)14(19)11-4-5-11/h2-3,6-7,11,13H,4-5,8H2,1H3
InChIKeyHLCYUOANYGOLSY-UHFFFAOYSA-N
XLogP2.14
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylpropan-1-one
CID 2869252
4-(4-fluorobenzyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 2730645
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one
CID 2869295
4-[(2-chloro-6-fluorophenyl)methyl]-2-(2,2-dimethylpropanoyl)-5-propyl-4H-pyrazol-3-one
CID 2730636
1,3-Dimethyl-4-phenyl-1,2-pyrazolin-5-one
CID 4171284
Ethanone, 1-(3,5,5-trimethyl-2-pyrazolin-1-yl)-2-phenyl-
CID 566310
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 2845024
1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-phenylethanone
CID 2845031
1-[5-Hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-YL]-4-phenylbutan-1-one
CID 15999515
1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 2863152
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylpropan-1-one
CID 3112697
3H-Pyrazol-3-one, 5-(4-fluorophenyl)-2,4-dihydro-2-methyl-
CID 55250679

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one (CID 2730660) is 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one is CC1=NN(C(=O)C2CC2)C(=O)C1Cc1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one?
The InChIKey is HLCYUOANYGOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-13(8-10-2-6-12(16)7-3-10)15(20)18(17-9)14(19)11-4-5-11/h2-3,6-7,11,13H,4-5,8H2,1H3.
What are the key properties of 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one?
2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one has a molecular weight of 274.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 2730660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).