4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid

C11H7F3N2O3 — CID 117232945

IUPAC4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-2-1-3-7(4-6)16-9(10(18)19)8(17)5-15-16/h1-5,17H,(H,18,19)
InChIKeyAPBRIMBKLIBUIR-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.29
Rot. Bonds2

About 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid

4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid (PubChem CID 117232945) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
PubChem CID117232945
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N2O3/c12-11(13,14)6-2-1-3-7(4-6)16-9(10(18)19)8(17)5-15-16/h1-5,17H,(H,18,19)
InChIKeyAPBRIMBKLIBUIR-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxyphenyl)-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55645976
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
N'-(2-methylbenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 46541102
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 150017906
2-(4-chlorophenyl)-5-hydroxypyridazin-3-one;5-hydroxy-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 158971239
1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
CID 154461404
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid (CID 117232945) is 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid is O=C(O)c1c(O)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid?
The InChIKey is APBRIMBKLIBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-11(13,14)6-2-1-3-7(4-6)16-9(10(18)19)8(17)5-15-16/h1-5,17H,(H,18,19).
What are the key properties of 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid?
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid has a molecular weight of 272.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).