(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

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Related Compounds

7-[3-(fluoromethyl)piperidin-1-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 155941691
2,5-dimethyl-7-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 126947537
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 3229908
[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165432476
(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
CID 95897098
[4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 163343507
2,5-dimethyl-7-[(2S)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 95895380
1-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126900033
2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994133
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
1-(4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)piperidin-3-ol
CID 16667902

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).