4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

C14H9Cl2F3N2O2 — CID 15672200

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC#CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H9Cl2F3N2O2/c1-3-4-22-10-5-7(9(17)6-8(10)15)12-11(16)13(21(2)20-12)23-14(18)19/h1,5-6,14H,4H2,2H3
InChIKeyBHUQHSVRXGUKSJ-UHFFFAOYSA-N
MW365.14 g/mol
LogP4.15
Rot. Bonds5

About 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15672200) has the molecular formula C14H9Cl2F3N2O2 and a molecular weight of 365.14 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15672200
Molecular FormulaC14H9Cl2F3N2O2
Molecular Weight365.14 g/mol
Exact Mass364.00
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC#CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C14H9Cl2F3N2O2/c1-3-4-22-10-5-7(9(17)6-8(10)15)12-11(16)13(21(2)20-12)23-14(18)19/h1,5-6,14H,4H2,2H3
InChIKeyBHUQHSVRXGUKSJ-UHFFFAOYSA-N
XLogP4.15
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
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CID 11324880
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CID 22392595
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CID 11121024
2-[2-Chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 11386053
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3-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11439056
4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 11523546
2-[5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole-3-yl)-2,4-dichlorophenoxy]propionyl chloride
CID 15030575
4-Chloro-3-(4-chlorophenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15672200) is 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is C#CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is BHUQHSVRXGUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O2/c1-3-4-22-10-5-7(9(17)6-8(10)15)12-11(16)13(21(2)20-12)23-14(18)19/h1,5-6,14H,4H2,2H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 365.14 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15672200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).