N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine

C13H17N5O — CID 163575795

IUPACN-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
SMILESCC1OC1Nc1cnn2ccc(N3CCCC3)nc12
InChIInChI=1S/C13H17N5O/c1-9-13(19-9)15-10-8-14-18-7-4-11(16-12(10)18)17-5-2-3-6-17/h4,7-9,13,15H,2-3,5-6H2,1H3
InChIKeyGDIZWBNZAFDIOB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.49
Rot. Bonds3

About N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine

N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 163575795) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID163575795
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
SMILESCC1OC1Nc1cnn2ccc(N3CCCC3)nc12
InChIInChI=1S/C13H17N5O/c1-9-13(19-9)15-10-8-14-18-7-4-11(16-12(10)18)17-5-2-3-6-17/h4,7-9,13,15H,2-3,5-6H2,1H3
InChIKeyGDIZWBNZAFDIOB-UHFFFAOYSA-N
XLogP1.49
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine (CID 163575795) is N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine is CC1OC1Nc1cnn2ccc(N3CCCC3)nc12.
What is the InChIKey of N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is GDIZWBNZAFDIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-13(19-9)15-10-8-14-18-7-4-11(16-12(10)18)17-5-2-3-6-17/h4,7-9,13,15H,2-3,5-6H2,1H3.
What are the key properties of N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine?
N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 259.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 163575795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).