5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H8F3N5O2 — CID 58063147

IUPAC5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(Nc3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C13H8F3N5O2/c14-13(15,16)8-2-1-3-9(18-8)19-10-4-5-21-11(20-10)7(6-17-21)12(22)23/h1-6H,(H,22,23)(H,18,19,20)
InChIKeyQMTAHRSTJPLODG-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.58
Rot. Bonds3

About 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 58063147) has the molecular formula C13H8F3N5O2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID58063147
Molecular FormulaC13H8F3N5O2
Molecular Weight323.23 g/mol
Exact Mass323.06
IUPAC Name5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(Nc3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C13H8F3N5O2/c14-13(15,16)8-2-1-3-9(18-8)19-10-4-5-21-11(20-10)7(6-17-21)12(22)23/h1-6H,(H,22,23)(H,18,19,20)
InChIKeyQMTAHRSTJPLODG-UHFFFAOYSA-N
XLogP2.58
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-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

7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 804063
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 804064
N-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1253399
5-cyclopropyl-7-(difluoromethyl)-N-3-pyridinylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1257401
7-Cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958132
5-[[2-(1,1-difluoroethyl)pyridin-3-yl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449349
N-cyclobutyl-5-[[2-(1,1-difluoroethyl)pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449352
N-cyclopropyl-5-[[2-(1,1-difluoroethyl)pyridin-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449353
5-[[2-(1,1-difluoroethyl)pyridin-3-yl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383333

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 58063147) is 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(Nc3cccc(C(F)(F)F)n3)nc12.
What is the InChIKey of 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is QMTAHRSTJPLODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O2/c14-13(15,16)8-2-1-3-9(18-8)19-10-4-5-21-11(20-10)7(6-17-21)12(22)23/h1-6H,(H,22,23)(H,18,19,20).
What are the key properties of 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 323.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 58063147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).