5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one

C11H10F2N2O2 — CID 114763823

IUPAC5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccc(OC(F)F)cc2)CC1=O
InChIInChI=1S/C11H10F2N2O2/c1-15-10(16)6-9(14-15)7-2-4-8(5-3-7)17-11(12)13/h2-5,11H,6H2,1H3
InChIKeyQIUVQSCXIKRGTM-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.85
Rot. Bonds3

About 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one

5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one (PubChem CID 114763823) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one
PubChem CID114763823
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccc(OC(F)F)cc2)CC1=O
InChIInChI=1S/C11H10F2N2O2/c1-15-10(16)6-9(14-15)7-2-4-8(5-3-7)17-11(12)13/h2-5,11H,6H2,1H3
InChIKeyQIUVQSCXIKRGTM-UHFFFAOYSA-N
XLogP1.85
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
CID 15145018
5-(4-bromophenyl)-2-methyl-4H-pyrazol-3-one
CID 53438982
[4-(difluoromethoxy)phenyl]methyl 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 52722079
3-[4-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 103935816
5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one
CID 62880533
6-(4-bromophenyl)-2-methyl-4,5-dihydropyridazin-3-one
CID 59232421
6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 20994532
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
CID 151277815
3-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 19863005
5-[4-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62225201
5-(5-chlorothiophen-2-yl)-2-methyl-4H-pyrazol-3-one
CID 114763780

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one (CID 114763823) is 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one is CN1N=C(c2ccc(OC(F)F)cc2)CC1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one?
The InChIKey is QIUVQSCXIKRGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-15-10(16)6-9(14-15)7-2-4-8(5-3-7)17-11(12)13/h2-5,11H,6H2,1H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one?
5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one has a molecular weight of 240.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 114763823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).