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

C13H14F2N2O — CID 142521622

IUPAC4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2C)c(F)c1
InChIInChI=1S/C13H14F2N2O/c1-7-12(8(2)17(3)16-7)13-10(14)5-9(18-4)6-11(13)15/h5-6H,1-4H3
InChIKeyBOMSIQMPNBQQQC-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.99
Rot. Bonds2

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

4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole (PubChem CID 142521622) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole
PubChem CID142521622
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole
SMILESCOc1cc(F)c(-c2c(C)nn(C)c2C)c(F)c1
InChIInChI=1S/C13H14F2N2O/c1-7-12(8(2)17(3)16-7)13-10(14)5-9(18-4)6-11(13)15/h5-6H,1-4H3
InChIKeyBOMSIQMPNBQQQC-UHFFFAOYSA-N
XLogP2.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole
CID 91492150
3-chloro-2-N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,2-diamine
CID 137458325
N-(2-chloro-4-fluorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
CID 66612391
3-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-6-fluoro-1H-benzimidazol-2-one
CID 137458537
N-(4-chloro-2-nitrophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
CID 142521651
N-(4-bromo-2-fluoro-6-nitrophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-amine
CID 137458710
1-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-5-prop-2-enoxybenzimidazole
CID 137458559
5-chloro-N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-3-nitropyridin-2-amine
CID 142521577
4-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1,3-dimethyl-N-(2,4,6-trifluorophenyl)pyrazol-5-amine
CID 77106313
3-methoxy-5-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 80748204
4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083
4-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole
CID 102168707

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole (CID 142521622) is 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole is COc1cc(F)c(-c2c(C)nn(C)c2C)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole?
The InChIKey is BOMSIQMPNBQQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-7-12(8(2)17(3)16-7)13-10(14)5-9(18-4)6-11(13)15/h5-6H,1-4H3.
What are the key properties of 4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole?
4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole has a molecular weight of 252.26 g/mol, XLogP of 2.99, 2 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)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 142521622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).