ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C13H17N3O2 — CID 113225230

IUPACethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)c(CC)c(C)nc12
InChIInChI=1S/C13H17N3O2/c1-5-10-8(3)15-12-11(13(17)18-6-2)7-14-16(12)9(10)4/h7H,5-6H2,1-4H3
InChIKeyXIIKKCHXJBBIOQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds3

About ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 113225230) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID113225230
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nameethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)c(CC)c(C)nc12
InChIInChI=1S/C13H17N3O2/c1-5-10-8(3)15-12-11(13(17)18-6-2)7-14-16(12)9(10)4/h7H,5-6H2,1-4H3
InChIKeyXIIKKCHXJBBIOQ-UHFFFAOYSA-N
XLogP2.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5,7-dimethyl-6-(3-phenylprop-2-enyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 1480603
ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
ethyl 7-methyl-5-propanoylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986687
ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4547315
ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494463
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630256
5,7-dimethyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 5168610
5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87024312
ethyl 5-(C-ethyl-N-hydroxycarbonimidoyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 140822119

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 113225230) is ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)c(CC)c(C)nc12.
What is the InChIKey of ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XIIKKCHXJBBIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-10-8(3)15-12-11(13(17)18-6-2)7-14-16(12)9(10)4/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 113225230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).