4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C13H4ClF10N3O — CID 19267950

IUPAC4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C13H4ClF10N3O/c1-27-10(13(22,23)24)3(14)8(26-27)11(28)25-9-6(17)4(15)2(12(19,20)21)5(16)7(9)18/h1H3,(H,25,28)
InChIKeyAUAIRGFOLLZONJ-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.92
Rot. Bonds2

About 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267950) has the molecular formula C13H4ClF10N3O and a molecular weight of 443.63 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267950
Molecular FormulaC13H4ClF10N3O
Molecular Weight443.63 g/mol
Exact Mass442.99
IUPAC Name4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C13H4ClF10N3O/c1-27-10(13(22,23)24)3(14)8(26-27)11(28)25-9-6(17)4(15)2(12(19,20)21)5(16)7(9)18/h1H3,(H,25,28)
InChIKeyAUAIRGFOLLZONJ-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267950) is 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is AUAIRGFOLLZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4ClF10N3O/c1-27-10(13(22,23)24)3(14)8(26-27)11(28)25-9-6(17)4(15)2(12(19,20)21)5(16)7(9)18/h1H3,(H,25,28).
What are the key properties of 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 443.63 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).