ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate

C11H13N3O3 — CID 172821533

IUPACethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccn(CC)n2c1=O
InChIInChI=1S/C11H13N3O3/c1-3-13-6-5-9-12-7-8(10(15)14(9)13)11(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyUHHRKKMMVXVNIB-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.69
Rot. Bonds3

About ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 172821533) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID172821533
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccn(CC)n2c1=O
InChIInChI=1S/C11H13N3O3/c1-3-13-6-5-9-12-7-8(10(15)14(9)13)11(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyUHHRKKMMVXVNIB-UHFFFAOYSA-N
XLogP0.69
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216595
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216656
ethyl 2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4737233
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 7454231
ethyl 6-ethyl-1,5-dioxopyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylate
CID 86737679
ethyl 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 12778914
ethyl 2-methyl-6-oxo-1-prop-2-enylpyrimidine-5-carboxylate
CID 18172499
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 784776
ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 154730490
ethyl 1-(2-amino-2-oxoethyl)-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
CID 7748533

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 172821533) is ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccn(CC)n2c1=O.
What is the InChIKey of ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is UHHRKKMMVXVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-13-6-5-9-12-7-8(10(15)14(9)13)11(16)17-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 172821533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).