5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C12H7ClF5N3O — CID 3461928

IUPAC5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C12H7ClF5N3O/c1-21-10(13)8(9(20-21)12(16,17)18)11(22)19-7-3-2-5(14)4-6(7)15/h2-4H,1H3,(H,19,22)
InChIKeyCVRUWZCPJBCYJD-UHFFFAOYSA-N
MW339.65 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 3461928) has the molecular formula C12H7ClF5N3O and a molecular weight of 339.65 g/mol. Its IUPAC name is 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID3461928
Molecular FormulaC12H7ClF5N3O
Molecular Weight339.65 g/mol
Exact Mass339.02
IUPAC Name5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C12H7ClF5N3O/c1-21-10(13)8(9(20-21)12(16,17)18)11(22)19-7-3-2-5(14)4-6(7)15/h2-4H,1H3,(H,19,22)
InChIKeyCVRUWZCPJBCYJD-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 3461928) is 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CVRUWZCPJBCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF5N3O/c1-21-10(13)8(9(20-21)12(16,17)18)11(22)19-7-3-2-5(14)4-6(7)15/h2-4H,1H3,(H,19,22).
What are the key properties of 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 339.65 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 3461928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).