1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C12H11F3N4O2 — CID 115372072

IUPAC1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(c2ccn3nccc3n2)C1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)11(10(20)21)3-6-18(7-11)8-2-5-19-9(17-8)1-4-16-19/h1-2,4-5H,3,6-7H2,(H,20,21)
InChIKeyMTZAAORMXYOARO-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.57
Rot. Bonds2

About 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 115372072) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID115372072
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCN(c2ccn3nccc3n2)C1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)11(10(20)21)3-6-18(7-11)8-2-5-19-9(17-8)1-4-16-19/h1-2,4-5H,3,6-7H2,(H,20,21)
InChIKeyMTZAAORMXYOARO-UHFFFAOYSA-N
XLogP1.57
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 115372072) is 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCN(c2ccn3nccc3n2)C1.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MTZAAORMXYOARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)11(10(20)21)3-6-18(7-11)8-2-5-19-9(17-8)1-4-16-19/h1-2,4-5H,3,6-7H2,(H,20,21).
What are the key properties of 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 300.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrimidin-5-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115372072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).