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

C15H19N3O5 — CID 156703963

IUPACethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1nc2cc(C3CCOCC3)[nH]n2c(=O)c1OC
InChIInChI=1S/C15H19N3O5/c1-3-23-15(20)12-13(21-2)14(19)18-11(16-12)8-10(17-18)9-4-6-22-7-5-9/h8-9,17H,3-7H2,1-2H3
InChIKeyYSOGNGSLHHAKBZ-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.10
Rot. Bonds4

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

ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 156703963) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID156703963
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Nameethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1nc2cc(C3CCOCC3)[nH]n2c(=O)c1OC
InChIInChI=1S/C15H19N3O5/c1-3-23-15(20)12-13(21-2)14(19)18-11(16-12)8-10(17-18)9-4-6-22-7-5-9/h8-9,17H,3-7H2,1-2H3
InChIKeyYSOGNGSLHHAKBZ-UHFFFAOYSA-N
XLogP1.10
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 156703963) is ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1nc2cc(C3CCOCC3)[nH]n2c(=O)c1OC.
What is the InChIKey of ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is YSOGNGSLHHAKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-3-23-15(20)12-13(21-2)14(19)18-11(16-12)8-10(17-18)9-4-6-22-7-5-9/h8-9,17H,3-7H2,1-2H3.
What are the key properties of ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 156703963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).