3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide

C13H10Cl2F3N3O2 — CID 91573870

IUPAC3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide
SMILESCc1c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn(C(N)=O)c1C
InChIInChI=1S/C13H10Cl2F3N3O2/c1-5-6(2)21(12(19)22)20-11(5)23-10-8(14)3-7(4-9(10)15)13(16,17)18/h3-4H,1-2H3,(H2,19,22)
InChIKeyFHDYLMWEKPARTP-UHFFFAOYSA-N
MW368.14 g/mol
LogP4.54
Rot. Bonds2

About 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide

3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide (PubChem CID 91573870) has the molecular formula C13H10Cl2F3N3O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide
PubChem CID91573870
Molecular FormulaC13H10Cl2F3N3O2
Molecular Weight368.14 g/mol
Exact Mass367.01
IUPAC Name3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide
SMILESCc1c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn(C(N)=O)c1C
InChIInChI=1S/C13H10Cl2F3N3O2/c1-5-6(2)21(12(19)22)20-11(5)23-10-8(14)3-7(4-9(10)15)13(16,17)18/h3-4H,1-2H3,(H2,19,22)
InChIKeyFHDYLMWEKPARTP-UHFFFAOYSA-N
XLogP4.54
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
CID 139934938
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-1H-pyrazole;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl chloride;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide
CID 162115197
N-tert-butyl-3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carboxamide
CID 91458696
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-N-phenylmethoxypyrazole-1-carboxamide
CID 91298169
4-ethyl-5-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyrazole-1-carboxamide
CID 91586699
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide
CID 91337033
2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol
CID 21466281
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazole-3-carboxamide
CID 22618398
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-(1,3-dioxolan-2-ylmethyl)-5-methylpyrazole-1-carboxamide;3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-N-(2-oxoethyl)pyrazole-1-carboxamide
CID 160743134
isocyanatoethane;methyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-(ethylcarbamoyl)pyrazole-5-carboxylate;methyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1H-pyrazole-5-carboxylate
CID 159818365
3-chloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]benzoyl chloride
CID 21463663
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide?
The IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide (CID 91573870) is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide is Cc1c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn(C(N)=O)c1C.
What is the InChIKey of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide?
The InChIKey is FHDYLMWEKPARTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2/c1-5-6(2)21(12(19)22)20-11(5)23-10-8(14)3-7(4-9(10)15)13(16,17)18/h3-4H,1-2H3,(H2,19,22).
What are the key properties of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide?
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide has a molecular weight of 368.14 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 91573870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).