phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C16H14N2O — CID 3063662

IUPACphenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccccc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1-10,12,15H,11H2
InChIKeyVATSZXIZOIMIAN-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.26
Rot. Bonds2

About phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 3063662) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID3063662
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Namephenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccccc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C16H14N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1-10,12,15H,11H2
InChIKeyVATSZXIZOIMIAN-UHFFFAOYSA-N
XLogP3.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 3063662) is phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1ccccc1)N1N=CCC1c1ccccc1.
What is the InChIKey of phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is VATSZXIZOIMIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1-10,12,15H,11H2.
What are the key properties of phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 3063662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).