5-methyl-2,4-diphenyl-1H-pyrazol-3-one

C16H14N2O — CID 678578

IUPAC5-methyl-2,4-diphenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-15(13-8-4-2-5-9-13)16(19)18(17-12)14-10-6-3-7-11-14/h2-11,17H,1H3
InChIKeyFXFVSEKKXOPNRA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.14
Rot. Bonds2

About 5-methyl-2,4-diphenyl-1H-pyrazol-3-one

5-methyl-2,4-diphenyl-1H-pyrazol-3-one (PubChem CID 678578) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methyl-2,4-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2,4-diphenyl-1H-pyrazol-3-one
PubChem CID678578
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-methyl-2,4-diphenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-15(13-8-4-2-5-9-13)16(19)18(17-12)14-10-6-3-7-11-14/h2-11,17H,1H3
InChIKeyFXFVSEKKXOPNRA-UHFFFAOYSA-N
XLogP3.14
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2,4-diphenyl-1H-pyrazol-3-one (CID 678578) is 5-methyl-2,4-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2,4-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2,4-diphenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1-c1ccccc1.
What is the InChIKey of 5-methyl-2,4-diphenyl-1H-pyrazol-3-one?
The InChIKey is FXFVSEKKXOPNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-15(13-8-4-2-5-9-13)16(19)18(17-12)14-10-6-3-7-11-14/h2-11,17H,1H3.
What are the key properties of 5-methyl-2,4-diphenyl-1H-pyrazol-3-one?
5-methyl-2,4-diphenyl-1H-pyrazol-3-one has a molecular weight of 250.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 678578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).