1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H7F4N3O — CID 166817552

IUPAC1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H7F4N3O/c12-6-1-3-7(4-2-6)18-8(10(16)19)5-9(17-18)11(13,14)15/h1-5H,(H2,16,19)
InChIKeyJJWATOGFSRHCAX-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166817552) has the molecular formula C11H7F4N3O and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166817552
Molecular FormulaC11H7F4N3O
Molecular Weight273.19 g/mol
Exact Mass273.05
IUPAC Name1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H7F4N3O/c12-6-1-3-7(4-2-6)18-8(10(16)19)5-9(17-18)11(13,14)15/h1-5H,(H2,16,19)
InChIKeyJJWATOGFSRHCAX-UHFFFAOYSA-N
XLogP2.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166817552) is 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is NC(=O)c1cc(C(F)(F)F)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is JJWATOGFSRHCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3O/c12-6-1-3-7(4-2-6)18-8(10(16)19)5-9(17-18)11(13,14)15/h1-5H,(H2,16,19).
What are the key properties of 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 273.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166817552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).