ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

C10H11N3O3 — CID 135621786

IUPACethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C)cc2[nH]c1=O
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-13-8(11-9(7)14)4-6(2)12-13/h4-5H,3H2,1-2H3,(H,11,14)
InChIKeyKCBXCJFFWYBRFL-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.51
Rot. Bonds2

About ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135621786) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID135621786
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C)cc2[nH]c1=O
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-13-8(11-9(7)14)4-6(2)12-13/h4-5H,3H2,1-2H3,(H,11,14)
InChIKeyKCBXCJFFWYBRFL-UHFFFAOYSA-N
XLogP0.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 135621786) is ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn2nc(C)cc2[nH]c1=O.
What is the InChIKey of ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is KCBXCJFFWYBRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-13-8(11-9(7)14)4-6(2)12-13/h4-5H,3H2,1-2H3,(H,11,14).
What are the key properties of ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135621786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).