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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone
CID 162535186
5-methoxycarbonyl-3-oxo-2-phenyl-6-(trifluoromethyl)pyridazin-4-olate
CID 54719430
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 141062484
3-phenyl-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 174629458
2-[4-fluoro-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxyacetic acid
CID 67815513
1-[4-amino-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-dimethylurea
CID 25148594
4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
CID 10990409
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 16784714
3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445

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).