ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate

C8H12N4O2 — CID 137012585

IUPACethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1NCCN2
InChIInChI=1S/C8H12N4O2/c1-2-14-8(13)6-5-7(12-11-6)10-4-3-9-5/h9H,2-4H2,1H3,(H2,10,11,12)
InChIKeyCYYZNTVJUVFIAC-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.42
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate

ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate (PubChem CID 137012585) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate
PubChem CID137012585
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Nameethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1NCCN2
InChIInChI=1S/C8H12N4O2/c1-2-14-8(13)6-5-7(12-11-6)10-4-3-9-5/h9H,2-4H2,1H3,(H2,10,11,12)
InChIKeyCYYZNTVJUVFIAC-UHFFFAOYSA-N
XLogP0.42
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxycarbonyl-4-[(2S)-pyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 53468888
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl (7S)-7-amino-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-b]pyridine-3-carboxylate
CID 172908157
ethyl 3-amino-4-cyclobutyl-1H-pyrazole-5-carboxylate
CID 105462820
ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
CID 20812265
ethane;ethyl 7-oxo-2,4,5,6-tetrahydroindazole-3-carboxylate
CID 91263749
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
ethyl 3-acetamido-4-bromo-1H-pyrazole-5-carboxylate
CID 146095681
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 601590
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 10355484

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate (CID 137012585) is ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate is CCOC(=O)c1[nH]nc2c1NCCN2.
What is the InChIKey of ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate?
The InChIKey is CYYZNTVJUVFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-14-8(13)6-5-7(12-11-6)10-4-3-9-5/h9H,2-4H2,1H3,(H2,10,11,12).
What are the key properties of ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate?
ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyrazine-3-carboxylate is sourced from PubChem (CID 137012585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).