3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde

C16H14N2O — CID 2841378

IUPAC3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H14N2O/c19-12-18-16(14-9-5-2-6-10-14)11-15(17-18)13-7-3-1-4-8-13/h1-10,12,16H,11H2
InChIKeyXHYQPRJMTYEZCI-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.99
Rot. Bonds3

About 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde

3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde (PubChem CID 2841378) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde.

Molecular Properties

Compound Name3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde
PubChem CID2841378
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde
SMILESO=CN1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C16H14N2O/c19-12-18-16(14-9-5-2-6-10-14)11-15(17-18)13-7-3-1-4-8-13/h1-10,12,16H,11H2
InChIKeyXHYQPRJMTYEZCI-UHFFFAOYSA-N
XLogP2.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.99
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 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde?
The IUPAC name of 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde (CID 2841378) is 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde.
What is the SMILES notation for 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde?
The canonical SMILES for 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde is O=CN1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde?
The InChIKey is XHYQPRJMTYEZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-12-18-16(14-9-5-2-6-10-14)11-15(17-18)13-7-3-1-4-8-13/h1-10,12,16H,11H2.
What are the key properties of 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde?
3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-3,4-dihydropyrazole-2-carbaldehyde is sourced from PubChem (CID 2841378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).