5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H13F3N4O3 — CID 137018477

IUPAC5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C13H13F3N4O3/c14-13(15,16)10-9(12(22)23)11-18-8(21)5-7(20(11)19-10)6-1-3-17-4-2-6/h5-6,17H,1-4H2,(H,18,21)(H,22,23)
InChIKeyARUSINHYQRYCHI-UHFFFAOYSA-N
MW330.27 g/mol
LogP1.21
Rot. Bonds2

About 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 137018477) has the molecular formula C13H13F3N4O3 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID137018477
Molecular FormulaC13H13F3N4O3
Molecular Weight330.27 g/mol
Exact Mass330.09
IUPAC Name5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C13H13F3N4O3/c14-13(15,16)10-9(12(22)23)11-18-8(21)5-7(20(11)19-10)6-1-3-17-4-2-6/h5-6,17H,1-4H2,(H,18,21)(H,22,23)
InChIKeyARUSINHYQRYCHI-UHFFFAOYSA-N
XLogP1.21
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-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

US10118930, Example 458
CID 137018404
US10118930, Example 367
CID 137018439
US10118930, Example 461
CID 137018487
US10118930, Example 429
CID 137018588
US10118930, Example 465
CID 137018619
US10118930, Example 466
CID 137018636
US10118930, Example 454
CID 137018702
US10118930, Example 459
CID 137018703
US10118930, Example 464
CID 137018756
US10118930, Example 460
CID 137025689
US10118930, Example 366
CID 137018304
US10118930, Example 317
CID 137018316

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 137018477) is 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ARUSINHYQRYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3/c14-13(15,16)10-9(12(22)23)11-18-8(21)5-7(20(11)19-10)6-1-3-17-4-2-6/h5-6,17H,1-4H2,(H,18,21)(H,22,23).
What are the key properties of 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 330.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 137018477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).