5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one

C11H10ClFN2O — CID 21266768

IUPAC5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one
SMILESCc1cc(-c2cc(=O)n(C)[nH]2)c(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-6-3-7(9(13)4-8(6)12)10-5-11(16)15(2)14-10/h3-5,14H,1-2H3
InChIKeyJMJJDPSGYBMOAU-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.48
Rot. Bonds1

About 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one

5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one (PubChem CID 21266768) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one
PubChem CID21266768
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one
SMILESCc1cc(-c2cc(=O)n(C)[nH]2)c(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-6-3-7(9(13)4-8(6)12)10-5-11(16)15(2)14-10/h3-5,14H,1-2H3
InChIKeyJMJJDPSGYBMOAU-UHFFFAOYSA-N
XLogP2.48
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Chloro-phenyl)-2-methyl-2H-pyrazol-3-ol
CID 23150870
5-(4-chloro-2-fluorophenyl)-1-methyl-1H-pyrazol-3-ol
CID 22481079
1-[(4-chlorophenyl)methyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 66022758
3-(4-chloro-2-fluorophenyl)-5-hydroxy-1H-pyrazole
CID 11321827
1-Methyl-5-hydroxy-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11736296
5-(4-Chlorophenyl)-4-fluoro-1,2-dihydropyrazol-3-one
CID 12859030
5-(4-chlorophenyl)-4-fluoro-2-methyl-1H-pyrazol-3-one
CID 12859035
4-fluoro-2-methyl-5-(3-methylphenyl)-1H-pyrazol-3-one
CID 12859037
3-(2,6-Dichloro-4-trifluoromethylphenyl)-5-hydroxy-1-methylpyrazole
CID 18929410
2-[1-(4-chlorophenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 20361935
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-3-one
CID 20362006
3-Amino-1-(3-trifluoromethyl-4-chlorobenzyl)-pyrazol-5-one
CID 20367191

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one (CID 21266768) is 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one is Cc1cc(-c2cc(=O)n(C)[nH]2)c(F)cc1Cl.
What is the InChIKey of 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one?
The InChIKey is JMJJDPSGYBMOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-6-3-7(9(13)4-8(6)12)10-5-11(16)15(2)14-10/h3-5,14H,1-2H3.
What are the key properties of 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one?
5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one has a molecular weight of 240.66 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-5-methylphenyl)-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 21266768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).