1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one

C17H16N2O — CID 166783776

IUPAC1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(-c3ccccc3)cc2)n1C
InChIInChI=1S/C17H16N2O/c1-13-12-17(20)19(18(13)2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyOINYVQLBMGFRMM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.15
Rot. Bonds2

About 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one

1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one (PubChem CID 166783776) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
PubChem CID166783776
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(-c3ccccc3)cc2)n1C
InChIInChI=1S/C17H16N2O/c1-13-12-17(20)19(18(13)2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyOINYVQLBMGFRMM-UHFFFAOYSA-N
XLogP3.15
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-phenylpyrazol-3-one
CID 555724
5-methyl-1,2-diphenylpyrazol-3-one
CID 802103
1-methyl-2-phenyl-5-(sulfanylmethyl)pyrazol-3-one
CID 121006163
1,2,5-triphenylpyrazol-3-one
CID 150178882
CID 154808105
CID 154808105
1-benzyl-2,5-dimethylpyrazol-3-one
CID 68678187
5-cyclobutyl-1-methyl-2-phenylpyrazol-3-one
CID 68679673
5,5',6,6'-tetramethyl-1,1',3,3'-tetrakis(4-phenylphenyl)-2,2'-spirobi[1,3,2-benzodiazasilole]
CID 58249847
(4E)-4-ethylidene-1-methyl-2-[4-(4-phenylphenyl)phenyl]pyrazolidine-3,5-dione
CID 22945015
2-(4-fluorophenyl)-1-methyl-4-phenylpyrazol-3-one
CID 134105852
1,1'-biphenyl;toluene
CID 18366440
5,10-dimethyl-2-phenylphenazine
CID 22055373

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one (CID 166783776) is 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one is Cc1cc(=O)n(-c2ccc(-c3ccccc3)cc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one?
The InChIKey is OINYVQLBMGFRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-12-17(20)19(18(13)2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one?
1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one has a molecular weight of 264.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one is sourced from PubChem (CID 166783776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).