methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate

C9H7N3O3 — CID 155820270

IUPACmethyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate
SMILESCOC(=O)c1nccn2ncc(C=O)c12
InChIInChI=1S/C9H7N3O3/c1-15-9(14)7-8-6(5-13)4-11-12(8)3-2-10-7/h2-5H,1H3
InChIKeyYSZCUPNEYQCPOC-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.33
Rot. Bonds2

About methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate

methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate (PubChem CID 155820270) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate
PubChem CID155820270
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Namemethyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate
SMILESCOC(=O)c1nccn2ncc(C=O)c12
InChIInChI=1S/C9H7N3O3/c1-15-9(14)7-8-6(5-13)4-11-12(8)3-2-10-7/h2-5H,1H3
InChIKeyYSZCUPNEYQCPOC-UHFFFAOYSA-N
XLogP0.33
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1H-pyrazolo[3,4-c]pyridine-7-carboxylic acid
CID 82410627
Pyrazolo(1,5-a)pyrazine-4-carboxylic acid
CID 125512897
4-Methylpyrazolo(1,5-a)pyrazine-3-carboxylic acid
CID 154734263
6-Methylpyrazolo[1,5-a]pyrazine-4-carboxylic acid
CID 177800151
Ethyl 2-methylpyrazolo[1,5-a]pyrazine-4-carboxylate
CID 132091351
Methyl pyrazolo[1,5-a]pyrazine-4-carboxylate
CID 155292847
Methyl 3-fluoropyrazolo[1,5-a]pyridine-4-carboxylate
CID 146457685
Methyl 1-(2-fluoroethyl)pyrazolo[4,5-b]pyridine-6-carboxylate
CID 163230573
Ethyl 1-(difluoromethyl)-4-(pyridine-3-carbonylamino)pyrazole-5-carboxylate
CID 171501623
Ethyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 176248482
Methyl 1-(2,2,2-trifluoroethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 177077152
(5-Fluoro-3-pyridinyl)methyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 105571366

Frequently Asked Questions

What is the IUPAC name of methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate?
The IUPAC name of methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate (CID 155820270) is methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate.
What is the SMILES notation for methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate?
The canonical SMILES for methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate is COC(=O)c1nccn2ncc(C=O)c12.
What is the InChIKey of methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate?
The InChIKey is YSZCUPNEYQCPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-15-9(14)7-8-6(5-13)4-11-12(8)3-2-10-7/h2-5H,1H3.
What are the key properties of methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate?
methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formylpyrazolo[1,5-a]pyrazine-4-carboxylate is sourced from PubChem (CID 155820270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).