3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde

C18H12N2O3 — CID 155523743

IUPAC3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2c(C=O)cccc2-3)cc1
InChIInChI=1S/C18H12N2O3/c1-23-12-7-5-10(6-8-12)16-15-17(20-19-16)13-4-2-3-11(9-21)14(13)18(15)22/h2-9H,1H3,(H,19,20)
InChIKeyTVZCIMNGAOZHSH-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde

3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde (PubChem CID 155523743) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde
PubChem CID155523743
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2c(C=O)cccc2-3)cc1
InChIInChI=1S/C18H12N2O3/c1-23-12-7-5-10(6-8-12)16-15-17(20-19-16)13-4-2-3-11(9-21)14(13)18(15)22/h2-9H,1H3,(H,19,20)
InChIKeyTVZCIMNGAOZHSH-UHFFFAOYSA-N
XLogP3.11
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde?
The IUPAC name of 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde (CID 155523743) is 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde?
The canonical SMILES for 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde is COc1ccc(-c2n[nH]c3c2C(=O)c2c(C=O)cccc2-3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde?
The InChIKey is TVZCIMNGAOZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c1-23-12-7-5-10(6-8-12)16-15-17(20-19-16)13-4-2-3-11(9-21)14(13)18(15)22/h2-9H,1H3,(H,19,20).
What are the key properties of 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde?
3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde has a molecular weight of 304.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carbaldehyde is sourced from PubChem (CID 155523743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).