3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde

C10H9ClN4O — CID 59570678

IUPAC3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde
SMILESCc1cc(C)n(-c2cnc(C=O)c(Cl)n2)n1
InChIInChI=1S/C10H9ClN4O/c1-6-3-7(2)15(14-6)9-4-12-8(5-16)10(11)13-9/h3-5H,1-2H3
InChIKeyHBALOJUQUUFCAH-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.75
Rot. Bonds2

About 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde

3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde (PubChem CID 59570678) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde
PubChem CID59570678
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde
SMILESCc1cc(C)n(-c2cnc(C=O)c(Cl)n2)n1
InChIInChI=1S/C10H9ClN4O/c1-6-3-7(2)15(14-6)9-4-12-8(5-16)10(11)13-9/h3-5H,1-2H3
InChIKeyHBALOJUQUUFCAH-UHFFFAOYSA-N
XLogP1.75
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde (CID 59570678) is 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde is Cc1cc(C)n(-c2cnc(C=O)c(Cl)n2)n1.
What is the InChIKey of 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde?
The InChIKey is HBALOJUQUUFCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-3-7(2)15(14-6)9-4-12-8(5-16)10(11)13-9/h3-5H,1-2H3.
What are the key properties of 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde?
3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 236.66 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 59570678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).