methyl pyrazolo[1,5-a]pyrazine-4-carboxylate

C8H7N3O2 — CID 155292847

IUPACmethyl pyrazolo[1,5-a]pyrazine-4-carboxylate
SMILESCOC(=O)c1nccn2nccc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)7-6-2-3-10-11(6)5-4-9-7/h2-5H,1H3
InChIKeyITDWUNQDLGLAMX-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.52
Rot. Bonds1

About methyl pyrazolo[1,5-a]pyrazine-4-carboxylate

methyl pyrazolo[1,5-a]pyrazine-4-carboxylate (PubChem CID 155292847) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is methyl pyrazolo[1,5-a]pyrazine-4-carboxylate.

Molecular Properties

Compound Namemethyl pyrazolo[1,5-a]pyrazine-4-carboxylate
PubChem CID155292847
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Namemethyl pyrazolo[1,5-a]pyrazine-4-carboxylate
SMILESCOC(=O)c1nccn2nccc12
InChIInChI=1S/C8H7N3O2/c1-13-8(12)7-6-2-3-10-11(6)5-4-9-7/h2-5H,1H3
InChIKeyITDWUNQDLGLAMX-UHFFFAOYSA-N
XLogP0.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl [1,2,3]triazolo[1,5-a]pyridine-3-carboxylate
CID 86164709
Ethyl 4-chloro-6-methylpyrazolo(1,5-a)pyrazine-2-carboxylate
CID 89740467
methyl 1H-pyrazolo[4,3-b]pyridine-5-carboxylate
CID 59763244
Pyrazolo(1,5-a)pyrazine-2-carboxylic acid
CID 83815773
Ethyl 4-chloropyrazolo(1,5-a)pyrazine-2-carboxylate
CID 122238887
Methyl pyrazolo[1,5-a]pyridine-2-carboxylate
CID 37818522
1-methyl-1H-pyrazolo[3,4-c]pyridine-7-carboxylic acid
CID 82410627
Pyrazolo(1,5-a)pyrazine-4-carboxylic acid
CID 125512897
Potassium 3-bromopyrazolo[1,5-a]pyrazine-4-carboxylate
CID 145874639
Methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate
CID 155820270
6-Methylpyrazolo[1,5-a]pyrazine-4-carboxylic acid
CID 177800151
3-Fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid methyl ester
CID 154573972

Frequently Asked Questions

What is the IUPAC name of methyl pyrazolo[1,5-a]pyrazine-4-carboxylate?
The IUPAC name of methyl pyrazolo[1,5-a]pyrazine-4-carboxylate (CID 155292847) is methyl pyrazolo[1,5-a]pyrazine-4-carboxylate.
What is the SMILES notation for methyl pyrazolo[1,5-a]pyrazine-4-carboxylate?
The canonical SMILES for methyl pyrazolo[1,5-a]pyrazine-4-carboxylate is COC(=O)c1nccn2nccc12.
What is the InChIKey of methyl pyrazolo[1,5-a]pyrazine-4-carboxylate?
The InChIKey is ITDWUNQDLGLAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-8(12)7-6-2-3-10-11(6)5-4-9-7/h2-5H,1H3.
What are the key properties of methyl pyrazolo[1,5-a]pyrazine-4-carboxylate?
methyl pyrazolo[1,5-a]pyrazine-4-carboxylate has a molecular weight of 177.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrazolo[1,5-a]pyrazine-4-carboxylate is sourced from PubChem (CID 155292847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).