ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate

C10H13N3O3 — CID 134863844

IUPACethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1C)NCC2
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)8-6(2)9(14)13-7(12-8)4-5-11-13/h11H,3-5H2,1-2H3
InChIKeyLZYHFCTWWVBMSQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.17
Rot. Bonds2

About ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 134863844) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID134863844
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1C)NCC2
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)8-6(2)9(14)13-7(12-8)4-5-11-13/h11H,3-5H2,1-2H3
InChIKeyLZYHFCTWWVBMSQ-UHFFFAOYSA-N
XLogP-0.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 134086970
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 10355484
diethyl 1-trimethylsilyltriazole-4,5-dicarboxylate
CID 71368721
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
CID 131456675
ethyl 8-(aminomethyl)-3-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxylate
CID 66595240
5-ethoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998518
ethyl 1-(4-chlorophenyl)-5-oxo-2H-triazole-4-carboxylate
CID 2738965
ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-3-carboxylate
CID 84666770

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 134863844) is ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1nc2n(c(=O)c1C)NCC2.
What is the InChIKey of ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is LZYHFCTWWVBMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-16-10(15)8-6(2)9(14)13-7(12-8)4-5-11-13/h11H,3-5H2,1-2H3.
What are the key properties of ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 223.23 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 134863844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).