2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde

C14H11N3O3 — CID 75176125

IUPAC2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESCOc1ccc(-c2nn3cc[nH]c(=O)c3c2C=O)cc1
InChIInChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-11(8-18)13-14(19)15-6-7-17(13)16-12/h2-8H,1H3,(H,15,19)
InChIKeyFDESYLVWOSQMJH-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.51
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde

2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde (PubChem CID 75176125) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde
PubChem CID75176125
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde
SMILESCOc1ccc(-c2nn3cc[nH]c(=O)c3c2C=O)cc1
InChIInChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-11(8-18)13-14(19)15-6-7-17(13)16-12/h2-8H,1H3,(H,15,19)
InChIKeyFDESYLVWOSQMJH-UHFFFAOYSA-N
XLogP1.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
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 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde (CID 75176125) is 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde is COc1ccc(-c2nn3cc[nH]c(=O)c3c2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
The InChIKey is FDESYLVWOSQMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-11(8-18)13-14(19)15-6-7-17(13)16-12/h2-8H,1H3,(H,15,19).
What are the key properties of 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde?
2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde has a molecular weight of 269.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 75176125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).