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

C9H8ClN3O2 — CID 10489397

IUPACethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1Cl
InChIInChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2H2,1H3
InChIKeyJHEDDGFTBNFOOK-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.56
Rot. Bonds2

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

ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 10489397) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID10489397
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Nameethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1Cl
InChIInChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2H2,1H3
InChIKeyJHEDDGFTBNFOOK-UHFFFAOYSA-N
XLogP1.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 10489397) is ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccnn2c1Cl.
What is the InChIKey of ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JHEDDGFTBNFOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-7-3-4-12-13(7)8(6)10/h3-5H,2H2,1H3.
What are the key properties of ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 225.64 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 10489397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).