5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C6H4F4N2O2 — CID 67191452

IUPAC5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)n[nH]c1CF
InChIInChI=1S/C6H4F4N2O2/c7-1-2-3(5(13)14)4(12-11-2)6(8,9)10/h1H2,(H,11,12)(H,13,14)
InChIKeyYIGXBDCTMDCUDN-UHFFFAOYSA-N
MW212.10 g/mol
LogP1.60
Rot. Bonds2

About 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 67191452) has the molecular formula C6H4F4N2O2 and a molecular weight of 212.10 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
PubChem CID67191452
Molecular FormulaC6H4F4N2O2
Molecular Weight212.10 g/mol
Exact Mass212.02
IUPAC Name5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)n[nH]c1CF
InChIInChI=1S/C6H4F4N2O2/c7-1-2-3(5(13)14)4(12-11-2)6(8,9)10/h1H2,(H,11,12)(H,13,14)
InChIKeyYIGXBDCTMDCUDN-UHFFFAOYSA-N
XLogP1.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CID 67191452) is 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1c(C(F)(F)F)n[nH]c1CF.
What is the InChIKey of 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is YIGXBDCTMDCUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O2/c7-1-2-3(5(13)14)4(12-11-2)6(8,9)10/h1H2,(H,11,12)(H,13,14).
What are the key properties of 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 212.10 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 67191452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).