4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C22H25F3N4O4 — CID 121319445

IUPAC4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCN1CC=C(C2CCNCC2)n2nc(-c3ccccc3)c(C(=O)O)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N4O2.C2HF3O2/c1-2-23-13-10-16(14-8-11-21-12-9-14)24-19(23)17(20(25)26)18(22-24)15-6-4-3-5-7-15;3-2(4,5)1(6)7/h3-7,10,14,21H,2,8-9,11-13H2,1H3,(H,25,26);(H,6,7)
InChIKeyGSUHFQWABZUYFJ-UHFFFAOYSA-N
MW466.46 g/mol
LogP3.56
Rot. Bonds4

About 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid

4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 121319445) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID121319445
Molecular FormulaC22H25F3N4O4
Molecular Weight466.46 g/mol
Exact Mass466.18
IUPAC Name4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCCN1CC=C(C2CCNCC2)n2nc(-c3ccccc3)c(C(=O)O)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N4O2.C2HF3O2/c1-2-23-13-10-16(14-8-11-21-12-9-14)24-19(23)17(20(25)26)18(22-24)15-6-4-3-5-7-15;3-2(4,5)1(6)7/h3-7,10,14,21H,2,8-9,11-13H2,1H3,(H,25,26);(H,6,7)
InChIKeyGSUHFQWABZUYFJ-UHFFFAOYSA-N
XLogP3.56
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 121319445) is 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid is CCN1CC=C(C2CCNCC2)n2nc(-c3ccccc3)c(C(=O)O)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is GSUHFQWABZUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.C2HF3O2/c1-2-23-13-10-16(14-8-11-21-12-9-14)24-19(23)17(20(25)26)18(22-24)15-6-4-3-5-7-15;3-2(4,5)1(6)7/h3-7,10,14,21H,2,8-9,11-13H2,1H3,(H,25,26);(H,6,7).
What are the key properties of 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 466.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-7-piperidin-4-yl-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 121319445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).