methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate

C8H7N3O3 — CID 154872964

IUPACmethyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c2ccnn12
InChIInChI=1S/C8H7N3O3/c1-14-8(13)6-4-9-7(12)5-2-3-10-11(5)6/h2-4H,1H3,(H,9,12)
InChIKeyOVOAVBLPJBPTPF-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.19
Rot. Bonds1

About methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate

methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate (PubChem CID 154872964) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
PubChem CID154872964
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Namemethyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c2ccnn12
InChIInChI=1S/C8H7N3O3/c1-14-8(13)6-4-9-7(12)5-2-3-10-11(5)6/h2-4H,1H3,(H,9,12)
InChIKeyOVOAVBLPJBPTPF-UHFFFAOYSA-N
XLogP-0.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
Methyl 2-(pyrazol-3-ylcarbonylamino)acetate
CID 680913
7-iodo-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 155821807
2-methyl-N-(4-oxo-1H-pyridin-3-yl)pyrazole-3-carboxamide
CID 72150225
methyl (E)-4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]but-2-enoate
CID 118667819
7-Methoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 129874187
Methyl 2-methyl-4-oxo-4,5-dihydropyrazolo[1,5-a]-pyrazine-7-carboxylate
CID 168474985
Methyl 2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate
CID 19268601
1-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19268644
Methyl 2-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]acetate
CID 19506883

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate (CID 154872964) is methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate is COC(=O)c1c[nH]c(=O)c2ccnn12.
What is the InChIKey of methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is OVOAVBLPJBPTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-8(13)6-4-9-7(12)5-2-3-10-11(5)6/h2-4H,1H3,(H,9,12).
What are the key properties of methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate?
methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 193.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5H-pyrazolo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 154872964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).