ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H19N5O2 — CID 53318089

IUPACethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N)cc(C3CCCNC3)nc12
InChIInChI=1S/C14H19N5O2/c1-2-21-14(20)10-8-17-19-12(15)6-11(18-13(10)19)9-4-3-5-16-7-9/h6,8-9,16H,2-5,7,15H2,1H3
InChIKeyXEXLRNFSGHNKIJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.96
Rot. Bonds3

About ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 53318089) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID53318089
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N)cc(C3CCCNC3)nc12
InChIInChI=1S/C14H19N5O2/c1-2-21-14(20)10-8-17-19-12(15)6-11(18-13(10)19)9-4-3-5-16-7-9/h6,8-9,16H,2-5,7,15H2,1H3
InChIKeyXEXLRNFSGHNKIJ-UHFFFAOYSA-N
XLogP0.96
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 53318089) is ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N)cc(C3CCCNC3)nc12.
What is the InChIKey of ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XEXLRNFSGHNKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-21-14(20)10-8-17-19-12(15)6-11(18-13(10)19)9-4-3-5-16-7-9/h6,8-9,16H,2-5,7,15H2,1H3.
What are the key properties of ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 53318089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).