3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H19N5 — CID 117103193

IUPAC3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC(c2cnn3c(N)ccnc23)C1
InChIInChI=1S/C13H19N5/c1-2-17-7-3-4-10(9-17)11-8-16-18-12(14)5-6-15-13(11)18/h5-6,8,10H,2-4,7,9,14H2,1H3
InChIKeyOOMQBKPSRGBFDR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.51
Rot. Bonds2

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

3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103193) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103193
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC(c2cnn3c(N)ccnc23)C1
InChIInChI=1S/C13H19N5/c1-2-17-7-3-4-10(9-17)11-8-16-18-12(14)5-6-15-13(11)18/h5-6,8,10H,2-4,7,9,14H2,1H3
InChIKeyOOMQBKPSRGBFDR-UHFFFAOYSA-N
XLogP1.51
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103193) is 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCN1CCCC(c2cnn3c(N)ccnc23)C1.
What is the InChIKey of 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OOMQBKPSRGBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-17-7-3-4-10(9-17)11-8-16-18-12(14)5-6-15-13(11)18/h5-6,8,10H,2-4,7,9,14H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 117103193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).