ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H20ClN5O3 — CID 137457257

IUPACethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(NCCN3CCOCC3)cc(Cl)nc12
InChIInChI=1S/C15H20ClN5O3/c1-2-24-15(22)11-10-18-21-13(9-12(16)19-14(11)21)17-3-4-20-5-7-23-8-6-20/h9-10,17H,2-8H2,1H3
InChIKeyQCHVXQONZLXSKI-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.30
Rot. Bonds6

About ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137457257) has the molecular formula C15H20ClN5O3 and a molecular weight of 353.81 g/mol. Its IUPAC name is ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137457257
Molecular FormulaC15H20ClN5O3
Molecular Weight353.81 g/mol
Exact Mass353.13
IUPAC Nameethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(NCCN3CCOCC3)cc(Cl)nc12
InChIInChI=1S/C15H20ClN5O3/c1-2-24-15(22)11-10-18-21-13(9-12(16)19-14(11)21)17-3-4-20-5-7-23-8-6-20/h9-10,17H,2-8H2,1H3
InChIKeyQCHVXQONZLXSKI-UHFFFAOYSA-N
XLogP1.30
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137457257) is ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(NCCN3CCOCC3)cc(Cl)nc12.
What is the InChIKey of ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is QCHVXQONZLXSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O3/c1-2-24-15(22)11-10-18-21-13(9-12(16)19-14(11)21)17-3-4-20-5-7-23-8-6-20/h9-10,17H,2-8H2,1H3.
What are the key properties of ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 353.81 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137457257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).