4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde

C13H7ClFN3O — CID 75526801

IUPAC4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nn2ccnc(Cl)c12
InChIInChI=1S/C13H7ClFN3O/c14-13-12-10(7-19)11(17-18(12)6-5-16-13)8-1-3-9(15)4-2-8/h1-7H
InChIKeyJLOHNCSXZYDRMP-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.00
Rot. Bonds2

About 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde

4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde (PubChem CID 75526801) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde
PubChem CID75526801
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nn2ccnc(Cl)c12
InChIInChI=1S/C13H7ClFN3O/c14-13-12-10(7-19)11(17-18(12)6-5-16-13)8-1-3-9(15)4-2-8/h1-7H
InChIKeyJLOHNCSXZYDRMP-UHFFFAOYSA-N
XLogP3.00
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde (CID 75526801) is 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)nn2ccnc(Cl)c12.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The InChIKey is JLOHNCSXZYDRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-13-12-10(7-19)11(17-18(12)6-5-16-13)8-1-3-9(15)4-2-8/h1-7H.
What are the key properties of 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde has a molecular weight of 275.67 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 75526801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).