4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid

C11H7F3N2O2 — CID 105423770

IUPAC4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)8-4-2-1-3-6(8)7-5-15-16-9(7)10(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyKMOYOJFHDKXOKJ-UHFFFAOYSA-N
MW256.18 g/mol
LogP2.79
Rot. Bonds2

About 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid

4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 105423770) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID105423770
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)8-4-2-1-3-6(8)7-5-15-16-9(7)10(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyKMOYOJFHDKXOKJ-UHFFFAOYSA-N
XLogP2.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
ethane;4-methylheptane;5-prop-1-en-2-yl-4-[2-(trifluoromethyl)phenyl]-1H-pyrazole
CID 154654497
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134626264
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 53223948
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281
3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
CID 141357507
[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
CID 69312353

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid (CID 105423770) is 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is KMOYOJFHDKXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)8-4-2-1-3-6(8)7-5-15-16-9(7)10(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid?
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 256.18 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 105423770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).