(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol

C12H16N4O — CID 164640132

IUPAC(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@H](O)C2)n2nc(C)cc2n1
InChIInChI=1S/C12H16N4O/c1-8-6-12(15-4-3-10(17)7-15)16-11(13-8)5-9(2)14-16/h5-6,10,17H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyHLMBAGSVNRNCCC-JTQLQIEISA-N
MW232.29 g/mol
LogP0.92
Rot. Bonds1

About (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol

(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (PubChem CID 164640132) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
PubChem CID164640132
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@H](O)C2)n2nc(C)cc2n1
InChIInChI=1S/C12H16N4O/c1-8-6-12(15-4-3-10(17)7-15)16-11(13-8)5-9(2)14-16/h5-6,10,17H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyHLMBAGSVNRNCCC-JTQLQIEISA-N
XLogP0.92
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol 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 (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (CID 164640132) is (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is Cc1cc(N2CC[C@H](O)C2)n2nc(C)cc2n1.
What is the InChIKey of (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The InChIKey is HLMBAGSVNRNCCC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-6-12(15-4-3-10(17)7-15)16-11(13-8)5-9(2)14-16/h5-6,10,17H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol has a molecular weight of 232.29 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is sourced from PubChem (CID 164640132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).