ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

C12H13N3O3 — CID 2819104

IUPACethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C12H13N3O3/c1-2-18-12(17)8-6-13-10-5-9(7-3-4-7)14-15(10)11(8)16/h5-7,14H,2-4H2,1H3
InChIKeyBGNZEWNCLPFMBL-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.08
Rot. Bonds3

About ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2819104) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2819104
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C12H13N3O3/c1-2-18-12(17)8-6-13-10-5-9(7-3-4-7)14-15(10)11(8)16/h5-7,14H,2-4H2,1H3
InChIKeyBGNZEWNCLPFMBL-UHFFFAOYSA-N
XLogP1.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2819104) is ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(C3CC3)[nH]n2c1=O.
What is the InChIKey of ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is BGNZEWNCLPFMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-12(17)8-6-13-10-5-9(7-3-4-7)14-15(10)11(8)16/h5-7,14H,2-4H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2819104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).