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

C10H11N3O2 — CID 15187836

IUPACethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)8-6-11-9-4-5-12-13(9)7(8)2/h4-6H,3H2,1-2H3
InChIKeyMMBKYLRFLOZGEC-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.21
Rot. Bonds2

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

ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 15187836) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID15187836
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1C
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)8-6-11-9-4-5-12-13(9)7(8)2/h4-6H,3H2,1-2H3
InChIKeyMMBKYLRFLOZGEC-UHFFFAOYSA-N
XLogP1.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 15187836) is ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccnn2c1C.
What is the InChIKey of ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is MMBKYLRFLOZGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-15-10(14)8-6-11-9-4-5-12-13(9)7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 15187836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).