ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H9N3O2 — CID 7021267

IUPACethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cccnc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3
InChIKeyJEMAMNBFHPIPCR-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.91
Rot. Bonds2

About ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 7021267) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID7021267
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cccnc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3
InChIKeyJEMAMNBFHPIPCR-UHFFFAOYSA-N
XLogP0.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 7021267) is ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cccnc12.
What is the InChIKey of ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is JEMAMNBFHPIPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3.
What are the key properties of ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 7021267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).