5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C18H12F5N3O — CID 68570369

IUPAC5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(N)=O)c1-c1ccccc1-c1cccc(F)c1F
InChIInChI=1S/C18H12F5N3O/c1-26-15(13(17(24)27)16(25-26)18(21,22)23)11-6-3-2-5-9(11)10-7-4-8-12(19)14(10)20/h2-8H,1H3,(H2,24,27)
InChIKeyGGKWFWOQMBDCAG-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.15
Rot. Bonds3

About 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 68570369) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID68570369
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC Name5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(N)=O)c1-c1ccccc1-c1cccc(F)c1F
InChIInChI=1S/C18H12F5N3O/c1-26-15(13(17(24)27)16(25-26)18(21,22)23)11-6-3-2-5-9(11)10-7-4-8-12(19)14(10)20/h2-8H,1H3,(H2,24,27)
InChIKeyGGKWFWOQMBDCAG-UHFFFAOYSA-N
XLogP4.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 68570369) is 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1nc(C(F)(F)F)c(C(N)=O)c1-c1ccccc1-c1cccc(F)c1F.
What is the InChIKey of 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GGKWFWOQMBDCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-26-15(13(17(24)27)16(25-26)18(21,22)23)11-6-3-2-5-9(11)10-7-4-8-12(19)14(10)20/h2-8H,1H3,(H2,24,27).
What are the key properties of 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 68570369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).