3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

C14H14ClF3N2O2 — CID 11439056

IUPAC3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCC(C)Oc1cc(-c2cc(OC(F)F)n(C)n2)c(F)cc1Cl
InChIInChI=1S/C14H14ClF3N2O2/c1-7(2)21-12-4-8(10(16)5-9(12)15)11-6-13(20(3)19-11)22-14(17)18/h4-7,14H,1-3H3
InChIKeySTJSRBNIAOQCKI-UHFFFAOYSA-N
MW334.73 g/mol
LogP4.27
Rot. Bonds5

About 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 11439056) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID11439056
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC Name3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCC(C)Oc1cc(-c2cc(OC(F)F)n(C)n2)c(F)cc1Cl
InChIInChI=1S/C14H14ClF3N2O2/c1-7(2)21-12-4-8(10(16)5-9(12)15)11-6-13(20(3)19-11)22-14(17)18/h4-7,14H,1-3H3
InChIKeySTJSRBNIAOQCKI-UHFFFAOYSA-N
XLogP4.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 6482611
2-[2-Chloro-5-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 11293728
1-Methyl-5-difluoromethoxy-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11357876
2-[2-Chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 11386053
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11438328
4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 11523546
3-(4-Chloro-2-fluoro-5-methylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15030566

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 11439056) is 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is CC(C)Oc1cc(-c2cc(OC(F)F)n(C)n2)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is STJSRBNIAOQCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c1-7(2)21-12-4-8(10(16)5-9(12)15)11-6-13(20(3)19-11)22-14(17)18/h4-7,14H,1-3H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 334.73 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 11439056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).