ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H9N3O3 — CID 135513254

IUPACethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(=O)[nH]c12
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyPCKVUOAPCLMZJI-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.20
Rot. Bonds2

About ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 135513254) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID135513254
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Nameethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(=O)[nH]c12
InChIInChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyPCKVUOAPCLMZJI-UHFFFAOYSA-N
XLogP0.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 271299
Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
Ethyl 1-methyl-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
CID 44574653
ethyl 5-[(2,2-dimethylpropanoyl)amino]-1-{2-[(2,2-dimethylpropanoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 3244478
ethyl 4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 135741791
ethyl 5-[(cyclopropylcarbonyl)amino]-1-{2-[(cyclopropylcarbonyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 3243818
ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
CID 83383185
ethyl 5-amino-1-(tert-butyl)-1H-pyrazole-4-carboxylate
CID 13809946
ethyl 5-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate
CID 22831608
5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 135741773
6-((3-Isopropoxypropyl)amino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135431264
Ethyl 5-[(2-chloro-2,2-difluoroacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 172450360

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 135513254) is ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(=O)[nH]c12.
What is the InChIKey of ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is PCKVUOAPCLMZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 135513254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).