N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C11H7F4N3O — CID 68953325

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C11H7F4N3O/c12-6-1-2-8(7(5-6)11(13,14)15)17-10(19)9-3-4-16-18-9/h1-5H,(H,16,18)(H,17,19)
InChIKeyUYBZDGDSXUURMU-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.82
Rot. Bonds2

About N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 68953325) has the molecular formula C11H7F4N3O and a molecular weight of 273.19 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID68953325
Molecular FormulaC11H7F4N3O
Molecular Weight273.19 g/mol
Exact Mass273.05
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1C(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C11H7F4N3O/c12-6-1-2-8(7(5-6)11(13,14)15)17-10(19)9-3-4-16-18-9/h1-5H,(H,16,18)(H,17,19)
InChIKeyUYBZDGDSXUURMU-UHFFFAOYSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 68953325) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UYBZDGDSXUURMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3O/c12-6-1-2-8(7(5-6)11(13,14)15)17-10(19)9-3-4-16-18-9/h1-5H,(H,16,18)(H,17,19).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 273.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68953325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).