3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H19N5 — CID 117103214

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC1Cc1cnn2c(N)ccnc12
InChIInChI=1S/C13H19N5/c1-2-17-7-3-4-11(17)8-10-9-16-18-12(14)5-6-15-13(10)18/h5-6,9,11H,2-4,7-8,14H2,1H3
InChIKeyLZHJKGPYAPJELS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.34
Rot. Bonds3

About 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103214) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103214
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC1Cc1cnn2c(N)ccnc12
InChIInChI=1S/C13H19N5/c1-2-17-7-3-4-11(17)8-10-9-16-18-12(14)5-6-15-13(10)18/h5-6,9,11H,2-4,7-8,14H2,1H3
InChIKeyLZHJKGPYAPJELS-UHFFFAOYSA-N
XLogP1.34
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103214) is 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCN1CCCC1Cc1cnn2c(N)ccnc12.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LZHJKGPYAPJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-17-7-3-4-11(17)8-10-9-16-18-12(14)5-6-15-13(10)18/h5-6,9,11H,2-4,7-8,14H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 117103214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).