ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C12H15N3O3 — CID 937353

IUPACethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)nn2c1COC
InChIInChI=1S/C12H15N3O3/c1-4-18-12(16)9-6-13-11-5-8(2)14-15(11)10(9)7-17-3/h5-6H,4,7H2,1-3H3
InChIKeyLTMJYGUGUBEDIV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.36
Rot. Bonds4

About ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 937353) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID937353
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)nn2c1COC
InChIInChI=1S/C12H15N3O3/c1-4-18-12(16)9-6-13-11-5-8(2)14-15(11)10(9)7-17-3/h5-6H,4,7H2,1-3H3
InChIKeyLTMJYGUGUBEDIV-UHFFFAOYSA-N
XLogP1.36
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 84690112
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116629798
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
ethyl 2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4737233
ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200581
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641471
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[2-(methylamino)ethoxy]pyrimidine-5-carboxylate
CID 3785339

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 937353) is ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(C)nn2c1COC.
What is the InChIKey of ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is LTMJYGUGUBEDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-18-12(16)9-6-13-11-5-8(2)14-15(11)10(9)7-17-3/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 937353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).