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

C17H16N2O2 — CID 12671426

IUPAC3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C=O)cc1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-7-14(8-10-15)17-11-16(18-19(17)12-20)13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
InChIKeyNVASAHPDUTZVQH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.00
Rot. Bonds4

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

3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde (PubChem CID 12671426) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
PubChem CID12671426
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C=O)cc1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-7-14(8-10-15)17-11-16(18-19(17)12-20)13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
InChIKeyNVASAHPDUTZVQH-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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Related Compounds

(4-Methoxyphenyl)(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589636
(4-Methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 589746
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
N-formyl-5-(-2'-methoxyphenyl)-3-phenylpyrazoline (1e)
CID 84973176
N-formyl-5-(-3'-methoxyphenyl)-3-phenylpyrazoline (1f)
CID 84973177
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
1-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3773109
1-acetyl-5-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4246984
(4-methoxyphenyl)[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]acetonitrile
CID 4235926

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde (CID 12671426) is 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde is COc1ccc(C2CC(c3ccccc3)=NN2C=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The InChIKey is NVASAHPDUTZVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-9-7-14(8-10-15)17-11-16(18-19(17)12-20)13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
3-(4-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-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde is sourced from PubChem (CID 12671426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).