5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid

C10H8N4O3 — CID 165453097

IUPAC5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid
SMILESCc1nn(-c2cnc(C(=O)O)cn2)cc1C=O
InChIInChI=1S/C10H8N4O3/c1-6-7(5-15)4-14(13-6)9-3-11-8(2-12-9)10(16)17/h2-5H,1H3,(H,16,17)
InChIKeyHHJGZOIFGZEEEQ-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.48
Rot. Bonds3

About 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid

5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid (PubChem CID 165453097) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid
PubChem CID165453097
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid
SMILESCc1nn(-c2cnc(C(=O)O)cn2)cc1C=O
InChIInChI=1S/C10H8N4O3/c1-6-7(5-15)4-14(13-6)9-3-11-8(2-12-9)10(16)17/h2-5H,1H3,(H,16,17)
InChIKeyHHJGZOIFGZEEEQ-UHFFFAOYSA-N
XLogP0.48
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid (CID 165453097) is 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid is Cc1nn(-c2cnc(C(=O)O)cn2)cc1C=O.
What is the InChIKey of 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is HHJGZOIFGZEEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c1-6-7(5-15)4-14(13-6)9-3-11-8(2-12-9)10(16)17/h2-5H,1H3,(H,16,17).
What are the key properties of 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid?
5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formyl-3-methylpyrazol-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 165453097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).