ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C11H13N3O2 — CID 126763838

IUPACethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2cc(C)cnc12
InChIInChI=1S/C11H13N3O2/c1-4-16-11(15)9-8(3)13-14-6-7(2)5-12-10(9)14/h5-6H,4H2,1-3H3
InChIKeyXMIFPEPKISWBDD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.52
Rot. Bonds2

About ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 126763838) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID126763838
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2cc(C)cnc12
InChIInChI=1S/C11H13N3O2/c1-4-16-11(15)9-8(3)13-14-6-7(2)5-12-10(9)14/h5-6H,4H2,1-3H3
InChIKeyXMIFPEPKISWBDD-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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Related Compounds

ethyl 2-methyl-6-methylideneboranylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 163717339
ethyl 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131389867
ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
ethyl 3-bromo-6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 118679621
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448
ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 164860766
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 126763838) is ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(C)nn2cc(C)cnc12.
What is the InChIKey of ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XMIFPEPKISWBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-16-11(15)9-8(3)13-14-6-7(2)5-12-10(9)14/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-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 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 126763838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).