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

C17H11Cl2F3N2O2 — CID 18364653

IUPAC4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2cc(Oc3ccccc3)c(Cl)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C17H11Cl2F3N2O2/c1-24-16(26-17(21)22)14(19)15(23-24)10-7-13(11(18)8-12(10)20)25-9-5-3-2-4-6-9/h2-8,17H,1H3
InChIKeyQAVXMJFMFFVRLQ-UHFFFAOYSA-N
MW403.19 g/mol
LogP5.93
Rot. Bonds5

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

4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 18364653) has the molecular formula C17H11Cl2F3N2O2 and a molecular weight of 403.19 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID18364653
Molecular FormulaC17H11Cl2F3N2O2
Molecular Weight403.19 g/mol
Exact Mass402.01
IUPAC Name4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2cc(Oc3ccccc3)c(Cl)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C17H11Cl2F3N2O2/c1-24-16(26-17(21)22)14(19)15(23-24)10-7-13(11(18)8-12(10)20)25-9-5-3-2-4-6-9/h2-8,17H,1H3
InChIKeyQAVXMJFMFFVRLQ-UHFFFAOYSA-N
XLogP5.93
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.19
LogP ≤ 55.93
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
(Z)-N-[[4-chloro-5-(4-chlorophenyl)-2-methylpyrazol-3-yl]methoxy]-1-[5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanimine
CID 145980731
(Z)-N-[[4-chloro-5-(4-chlorophenyl)-2-methylpyrazol-3-yl]methoxy]-1-[1,3-dimethyl-5-[4-(trifluoromethoxy)phenoxy]pyrazol-4-yl]methanimine
CID 145987562
5-(4-Chlorophenyl)-3-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1-methylpyrazole
CID 58361136
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-(4-methylphenyl)pyrazole
CID 58361137
4-[6-(2-Chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 6482611
3-[4-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butoxy]-5-(4-ethylphenyl)-1,4-dimethylpyrazole
CID 76313015
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(4-ethylphenyl)-1,4-dimethylpyrazole
CID 76316542
3-[3-[2,6-Dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-1,4-dimethyl-5-phenylpyrazole
CID 76320243

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 18364653) is 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(-c2cc(Oc3ccccc3)c(Cl)cc2F)c(Cl)c1OC(F)F.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is QAVXMJFMFFVRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O2/c1-24-16(26-17(21)22)14(19)15(23-24)10-7-13(11(18)8-12(10)20)25-9-5-3-2-4-6-9/h2-8,17H,1H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(4-chloro-2-fluoro-5-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 403.19 g/mol, XLogP of 5.93, 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-phenoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 18364653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).