3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde

C17H16N2O2 — CID 84973177

IUPAC3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESCOc1cccc(C2CC(c3ccccc3)=NN2C=O)c1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-5-8-14(10-15)17-11-16(18-19(17)12-20)13-6-3-2-4-7-13/h2-10,12,17H,11H2,1H3
InChIKeyULBOUNLNVCKYIO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.00
Rot. Bonds4

About 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde

3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde (PubChem CID 84973177) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
PubChem CID84973177
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESCOc1cccc(C2CC(c3ccccc3)=NN2C=O)c1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-5-8-14(10-15)17-11-16(18-19(17)12-20)13-6-3-2-4-7-13/h2-10,12,17H,11H2,1H3
InChIKeyULBOUNLNVCKYIO-UHFFFAOYSA-N
XLogP3.00
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The IUPAC name of 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde (CID 84973177) is 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The canonical SMILES for 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde is COc1cccc(C2CC(c3ccccc3)=NN2C=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The InChIKey is ULBOUNLNVCKYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-9-5-8-14(10-15)17-11-16(18-19(17)12-20)13-6-3-2-4-7-13/h2-10,12,17H,11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde has a molecular weight of 280.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde is sourced from PubChem (CID 84973177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).