ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C10H11N3O3 — CID 2816397

IUPACethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-13-8(14)4-6(2)12-9(7)13/h4-5,11H,3H2,1-2H3
InChIKeyOSNRZZJSYFZSBR-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.51
Rot. Bonds2

About ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 2816397) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID2816397
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-13-8(14)4-6(2)12-9(7)13/h4-5,11H,3H2,1-2H3
InChIKeyOSNRZZJSYFZSBR-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 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 2816397) is ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c[nH]n2c(=O)cc(C)nc12.
What is the InChIKey of ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is OSNRZZJSYFZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-13-8(14)4-6(2)12-9(7)13/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-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 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 2816397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).