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

C13H18N4O — CID 56910670

IUPAC(3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@H](O)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H18N4O/c1-8-6-12(16-5-4-11(18)7-16)17-13(14-8)9(2)10(3)15-17/h6,11,18H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyZPIBKZQKRRANQR-NSHDSACASA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds1

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

(3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (PubChem CID 56910670) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
PubChem CID56910670
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@H](O)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H18N4O/c1-8-6-12(16-5-4-11(18)7-16)17-13(14-8)9(2)10(3)15-17/h6,11,18H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyZPIBKZQKRRANQR-NSHDSACASA-N
XLogP1.23
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (CID 56910670) is (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is Cc1cc(N2CC[C@H](O)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The InChIKey is ZPIBKZQKRRANQR-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-6-12(16-5-4-11(18)7-16)17-13(14-8)9(2)10(3)15-17/h6,11,18H,4-5,7H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
(3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol has a molecular weight of 246.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is sourced from PubChem (CID 56910670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).