5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde

C14H9ClN4O — CID 81042710

IUPAC5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn(-c2cnccn2)c1Cl
InChIInChI=1S/C14H9ClN4O/c15-14-11(9-20)13(10-4-2-1-3-5-10)18-19(14)12-8-16-6-7-17-12/h1-9H
InChIKeyFYLOAKDEGQQGMS-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde

5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde (PubChem CID 81042710) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde
PubChem CID81042710
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn(-c2cnccn2)c1Cl
InChIInChI=1S/C14H9ClN4O/c15-14-11(9-20)13(10-4-2-1-3-5-10)18-19(14)12-8-16-6-7-17-12/h1-9H
InChIKeyFYLOAKDEGQQGMS-UHFFFAOYSA-N
XLogP2.80
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.80
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 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde (CID 81042710) is 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde is O=Cc1c(-c2ccccc2)nn(-c2cnccn2)c1Cl.
What is the InChIKey of 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is FYLOAKDEGQQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c15-14-11(9-20)13(10-4-2-1-3-5-10)18-19(14)12-8-16-6-7-17-12/h1-9H.
What are the key properties of 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde?
5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde has a molecular weight of 284.71 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 81042710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).