5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

C11H8F3N3O2 — CID 25148512

IUPAC5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-7(10(18)19)9(15)17(16-8)6-4-2-1-3-5-6/h1-5H,15H2,(H,18,19)
InChIKeyUODDIBVQYOPYRA-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.17
Rot. Bonds2

About 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 25148512) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID25148512
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)c(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)8-7(10(18)19)9(15)17(16-8)6-4-2-1-3-5-6/h1-5H,15H2,(H,18,19)
InChIKeyUODDIBVQYOPYRA-UHFFFAOYSA-N
XLogP2.17
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 746814
2H-Pyrazolo(4,3-c)pyridine-4,6-diol, 3-amino-2-phenyl-
CID 135419024
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 612275
2-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2322999
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 5206832
2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
CID 700538
1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1491355
5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3701684
3-methyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 11821669
5-Anilino-3-methyl-4-pyrazolecarboxylic acid
CID 13446789
Methyl 5-amino-3-methyl-1-phenylpyrazole-4-carboxylate
CID 5309817
2-Ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 44573824

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 25148512) is 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is Nc1c(C(=O)O)c(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is UODDIBVQYOPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)8-7(10(18)19)9(15)17(16-8)6-4-2-1-3-5-6/h1-5H,15H2,(H,18,19).
What are the key properties of 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 25148512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).