5-methyl-1,2-diphenylpyrazol-3-one

C16H14N2O — CID 802103

IUPAC5-methyl-1,2-diphenylpyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-13-12-16(19)18(15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyCUKIVZPMDBQMFQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.94
Rot. Bonds2

About 5-methyl-1,2-diphenylpyrazol-3-one

5-methyl-1,2-diphenylpyrazol-3-one (PubChem CID 802103) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methyl-1,2-diphenylpyrazol-3-one.

Molecular Properties

Compound Name5-methyl-1,2-diphenylpyrazol-3-one
PubChem CID802103
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-methyl-1,2-diphenylpyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-13-12-16(19)18(15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyCUKIVZPMDBQMFQ-UHFFFAOYSA-N
XLogP2.94
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-diphenylpyrazol-3-one?
The IUPAC name of 5-methyl-1,2-diphenylpyrazol-3-one (CID 802103) is 5-methyl-1,2-diphenylpyrazol-3-one.
What is the SMILES notation for 5-methyl-1,2-diphenylpyrazol-3-one?
The canonical SMILES for 5-methyl-1,2-diphenylpyrazol-3-one is Cc1cc(=O)n(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-methyl-1,2-diphenylpyrazol-3-one?
The InChIKey is CUKIVZPMDBQMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-13-12-16(19)18(15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 5-methyl-1,2-diphenylpyrazol-3-one?
5-methyl-1,2-diphenylpyrazol-3-one has a molecular weight of 250.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-diphenylpyrazol-3-one is sourced from PubChem (CID 802103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).