4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole

C18H14F4N2O — CID 91492150

IUPAC4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C18H14F4N2O/c1-9-16(17-14(21)7-11(25-3)8-15(17)22)18(24(2)23-9)12-5-4-10(19)6-13(12)20/h4-8H,1-3H3
InChIKeyNRWLUMHBKAWHLB-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.63
Rot. Bonds3

About 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole

4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole (PubChem CID 91492150) has the molecular formula C18H14F4N2O and a molecular weight of 350.32 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole
PubChem CID91492150
Molecular FormulaC18H14F4N2O
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Name4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C18H14F4N2O/c1-9-16(17-14(21)7-11(25-3)8-15(17)22)18(24(2)23-9)12-5-4-10(19)6-13(12)20/h4-8H,1-3H3
InChIKeyNRWLUMHBKAWHLB-UHFFFAOYSA-N
XLogP4.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole
CID 142521622
3-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-6-fluoro-1H-benzimidazol-2-one
CID 137458537
N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
CID 66612391
3-chloro-2-N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,2-diamine
CID 137458325
1-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-5-prop-2-enoxybenzimidazole
CID 137458559
1-N-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-methoxybenzene-1,2-diamine
CID 137458410
N-(4-chloro-2-nitrophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
CID 142521651
5-(2,4-difluorophenyl)-1-methylpyrazole-4-carbaldehyde
CID 83822737
9,10-bis(2,6-difluoro-4-methoxyphenyl)-1,2,3,4,6-pentafluoroanthracene
CID 87457206
4-(2-chloro-4-fluorophenyl)-5-[4-(2-cyclopropylethynyl)-2,6-difluorophenyl]-1,3-dimethylpyrazole
CID 141446139
N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
CID 66613240
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole (CID 91492150) is 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole is COc1cc(F)c(-c2c(C)nn(C)c2-c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole?
The InChIKey is NRWLUMHBKAWHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O/c1-9-16(17-14(21)7-11(25-3)8-15(17)22)18(24(2)23-9)12-5-4-10(19)6-13(12)20/h4-8H,1-3H3.
What are the key properties of 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole?
4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole has a molecular weight of 350.32 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 91492150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).