4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole

C18H9Cl2F7N2O — CID 18539803

IUPAC4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2cc(Oc3ccc(C(F)(F)F)cc3)c(Cl)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C18H9Cl2F7N2O/c1-29-16(18(25,26)27)14(20)15(28-29)10-6-13(11(19)7-12(10)21)30-9-4-2-8(3-5-9)17(22,23)24/h2-7H,1H3
InChIKeyCSKTXJGUUNKMOT-UHFFFAOYSA-N
MW473.18 g/mol
LogP7.36
Rot. Bonds3

About 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole

4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 18539803) has the molecular formula C18H9Cl2F7N2O and a molecular weight of 473.18 g/mol. Its IUPAC name is 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID18539803
Molecular FormulaC18H9Cl2F7N2O
Molecular Weight473.18 g/mol
Exact Mass472.00
IUPAC Name4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2cc(Oc3ccc(C(F)(F)F)cc3)c(Cl)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C18H9Cl2F7N2O/c1-29-16(18(25,26)27)14(20)15(28-29)10-6-13(11(19)7-12(10)21)30-9-4-2-8(3-5-9)17(22,23)24/h2-7H,1H3
InChIKeyCSKTXJGUUNKMOT-UHFFFAOYSA-N
XLogP7.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.18
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 182951
Pyraflufen
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4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
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3-Chloro-5-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 44256427
3-Chloro-4-(2,6-difluoro-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-methylpyrazole
CID 44256428
5-(4-Chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
CID 102205405
5-Chloro-3-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 135024577
3-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 135065097
4-chloro-1-(4-chlorobenzyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19586876
4-chloro-1-(2,4-dichlorobenzyl)-3,5-bis[3-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19587097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole (CID 18539803) is 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2cc(Oc3ccc(C(F)(F)F)cc3)c(Cl)cc2F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is CSKTXJGUUNKMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F7N2O/c1-29-16(18(25,26)27)14(20)15(28-29)10-6-13(11(19)7-12(10)21)30-9-4-2-8(3-5-9)17(22,23)24/h2-7H,1H3.
What are the key properties of 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole?
4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 473.18 g/mol, XLogP of 7.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-chloro-2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 18539803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).