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

C16H13ClN2O — CID 3125367

IUPAC3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16-10-15(18-19(16)11-20)12-4-2-1-3-5-12/h1-9,11,16H,10H2
InChIKeyASSLHYVMEAHWEM-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.65
Rot. Bonds3

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

3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde (PubChem CID 3125367) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
PubChem CID3125367
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16-10-15(18-19(16)11-20)12-4-2-1-3-5-12/h1-9,11,16H,10H2
InChIKeyASSLHYVMEAHWEM-UHFFFAOYSA-N
XLogP3.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde (CID 3125367) is 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde is O=CN1N=C(c2ccccc2)CC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
The InChIKey is ASSLHYVMEAHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16-10-15(18-19(16)11-20)12-4-2-1-3-5-12/h1-9,11,16H,10H2.
What are the key properties of 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde?
3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde has a molecular weight of 284.75 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbaldehyde is sourced from PubChem (CID 3125367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).