ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C11H13N3O2 — CID 2736420

IUPACethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C11H13N3O2/c1-4-16-11(15)9-6-12-10-5-7(2)13-14(10)8(9)3/h5-6H,4H2,1-3H3
InChIKeyNPHJHMNEJZRHGG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.52
Rot. Bonds2

About ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2736420) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2736420
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C11H13N3O2/c1-4-16-11(15)9-6-12-10-5-7(2)13-14(10)8(9)3/h5-6H,4H2,1-3H3
InChIKeyNPHJHMNEJZRHGG-UHFFFAOYSA-N
XLogP1.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2736420) is ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(C)nn2c1C.
What is the InChIKey of ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NPHJHMNEJZRHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-16-11(15)9-6-12-10-5-7(2)13-14(10)8(9)3/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2736420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).