1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one

C18H15ClF2N2O2 — CID 67151117

IUPAC1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one
SMILESCOc1cc(F)c(-c2c(C)c(=O)n(C)n2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C18H15ClF2N2O2/c1-10-17(16-14(20)8-13(25-3)9-15(16)21)23(22(2)18(10)24)12-6-4-11(19)5-7-12/h4-9H,1-3H3
InChIKeyIDMCRZLNBFQWCG-UHFFFAOYSA-N
MW364.78 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one

1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one (PubChem CID 67151117) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one
PubChem CID67151117
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC Name1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one
SMILESCOc1cc(F)c(-c2c(C)c(=O)n(C)n2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C18H15ClF2N2O2/c1-10-17(16-14(20)8-13(25-3)9-15(16)21)23(22(2)18(10)24)12-6-4-11(19)5-7-12/h4-9H,1-3H3
InChIKeyIDMCRZLNBFQWCG-UHFFFAOYSA-N
XLogP4.09
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one?
The IUPAC name of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one (CID 67151117) is 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one is COc1cc(F)c(-c2c(C)c(=O)n(C)n2-c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one?
The InChIKey is IDMCRZLNBFQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-10-17(16-14(20)8-13(25-3)9-15(16)21)23(22(2)18(10)24)12-6-4-11(19)5-7-12/h4-9H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one?
1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one has a molecular weight of 364.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-2,4-dimethylpyrazol-3-one is sourced from PubChem (CID 67151117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).