4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine

C8H8ClN3O — CID 164879859

IUPAC4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine
SMILESCCOc1cc2c(Cl)nccn2n1
InChIInChI=1S/C8H8ClN3O/c1-2-13-7-5-6-8(9)10-3-4-12(6)11-7/h3-5H,2H2,1H3
InChIKeyFMOHIAVUADDJKY-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.78
Rot. Bonds2

About 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine

4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine (PubChem CID 164879859) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine
PubChem CID164879859
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine
SMILESCCOc1cc2c(Cl)nccn2n1
InChIInChI=1S/C8H8ClN3O/c1-2-13-7-5-6-8(9)10-3-4-12(6)11-7/h3-5H,2H2,1H3
InChIKeyFMOHIAVUADDJKY-UHFFFAOYSA-N
XLogP1.78
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine (CID 164879859) is 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine is CCOc1cc2c(Cl)nccn2n1.
What is the InChIKey of 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine?
The InChIKey is FMOHIAVUADDJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-2-13-7-5-6-8(9)10-3-4-12(6)11-7/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine?
4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine has a molecular weight of 197.62 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxypyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 164879859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).