methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate

C9H9N3O3 — CID 178051745

IUPACmethyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(OC)ncc12
InChIInChI=1S/C9H9N3O3/c1-14-8-5-12-7(4-10-8)6(3-11-12)9(13)15-2/h3-5H,1-2H3
InChIKeyHKYRBCRDFHDALQ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.52
Rot. Bonds2

About methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate

methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 178051745) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID178051745
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Namemethyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(OC)ncc12
InChIInChI=1S/C9H9N3O3/c1-14-8-5-12-7(4-10-8)6(3-11-12)9(13)15-2/h3-5H,1-2H3
InChIKeyHKYRBCRDFHDALQ-UHFFFAOYSA-N
XLogP0.52
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate (CID 178051745) is methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate is COC(=O)c1cnn2cc(OC)ncc12.
What is the InChIKey of methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is HKYRBCRDFHDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-14-8-5-12-7(4-10-8)6(3-11-12)9(13)15-2/h3-5H,1-2H3.
What are the key properties of methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate?
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 207.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 178051745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).