1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde

C9H8N4O — CID 137351204

IUPAC1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde
SMILESCc1cnc(-n2cc(C=O)cn2)cn1
InChIInChI=1S/C9H8N4O/c1-7-2-11-9(4-10-7)13-5-8(6-14)3-12-13/h2-6H,1H3
InChIKeyIACKIOLXNDQJAB-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.78
Rot. Bonds2

About 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde

1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde (PubChem CID 137351204) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde
PubChem CID137351204
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde
SMILESCc1cnc(-n2cc(C=O)cn2)cn1
InChIInChI=1S/C9H8N4O/c1-7-2-11-9(4-10-7)13-5-8(6-14)3-12-13/h2-6H,1H3
InChIKeyIACKIOLXNDQJAB-UHFFFAOYSA-N
XLogP0.78
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde (CID 137351204) is 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde is Cc1cnc(-n2cc(C=O)cn2)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is IACKIOLXNDQJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-7-2-11-9(4-10-7)13-5-8(6-14)3-12-13/h2-6H,1H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde?
1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 137351204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).