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

C9H8FN3O2 — CID 118679624

IUPACethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2ncc(F)cn2n1
InChIInChI=1S/C9H8FN3O2/c1-2-15-9(14)7-3-8-11-4-6(10)5-13(8)12-7/h3-5H,2H2,1H3
InChIKeyNRDWFHXQJVQQIU-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.05
Rot. Bonds2

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

ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 118679624) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID118679624
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Nameethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2ncc(F)cn2n1
InChIInChI=1S/C9H8FN3O2/c1-2-15-9(14)7-3-8-11-4-6(10)5-13(8)12-7/h3-5H,2H2,1H3
InChIKeyNRDWFHXQJVQQIU-UHFFFAOYSA-N
XLogP1.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 118679624) is ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2ncc(F)cn2n1.
What is the InChIKey of ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is NRDWFHXQJVQQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c1-2-15-9(14)7-3-8-11-4-6(10)5-13(8)12-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 209.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 118679624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).