ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H17N3O4 — CID 156703980

IUPACethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C3CCOCC3)[nH]n2c1=O
InChIInChI=1S/C14H17N3O4/c1-2-21-14(19)10-8-15-12-7-11(16-17(12)13(10)18)9-3-5-20-6-4-9/h7-9,16H,2-6H2,1H3
InChIKeyIWUFIHCGNIBMCS-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.09
Rot. Bonds3

About ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 156703980) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID156703980
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C3CCOCC3)[nH]n2c1=O
InChIInChI=1S/C14H17N3O4/c1-2-21-14(19)10-8-15-12-7-11(16-17(12)13(10)18)9-3-5-20-6-4-9/h7-9,16H,2-6H2,1H3
InChIKeyIWUFIHCGNIBMCS-UHFFFAOYSA-N
XLogP1.09
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 156703980) is ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(C3CCOCC3)[nH]n2c1=O.
What is the InChIKey of ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is IWUFIHCGNIBMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-21-14(19)10-8-15-12-7-11(16-17(12)13(10)18)9-3-5-20-6-4-9/h7-9,16H,2-6H2,1H3.
What are the key properties of ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 156703980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).