ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H14N4O3 — CID 131986710

IUPACethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3coc(C)n3)nc12
InChIInChI=1S/C14H14N4O3/c1-4-20-14(19)10-6-15-18-8(2)5-11(17-13(10)18)12-7-21-9(3)16-12/h5-7H,4H2,1-3H3
InChIKeyXYJDBOSTGPKOJD-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.18
Rot. Bonds3

About ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 131986710) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID131986710
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Nameethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3coc(C)n3)nc12
InChIInChI=1S/C14H14N4O3/c1-4-20-14(19)10-6-15-18-8(2)5-11(17-13(10)18)12-7-21-9(3)16-12/h5-7H,4H2,1-3H3
InChIKeyXYJDBOSTGPKOJD-UHFFFAOYSA-N
XLogP2.18
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986687
ethyl 7-methyl-5-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986760
ethyl 5-(C-ethyl-N-hydroxycarbonimidoyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822119
ethyl 5-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986812
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
ethyl 7-methyl-5-[(E)-3-oxobut-1-enyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822148
ethyl 7-methyl-5-(3-pyrimidin-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986680
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
ethyl 5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19440794

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 131986710) is ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)cc(-c3coc(C)n3)nc12.
What is the InChIKey of ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XYJDBOSTGPKOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-4-20-14(19)10-6-15-18-8(2)5-11(17-13(10)18)12-7-21-9(3)16-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-5-(2-methyl-1,3-oxazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 131986710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).