1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone

C12H14N2O — CID 141044943

IUPAC1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone
SMILESCC(=O)C1=C(C)NN(c2ccccc2)C1
InChIInChI=1S/C12H14N2O/c1-9-12(10(2)15)8-14(13-9)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3
InChIKeyVJRSWGOWDUGDTI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.87
Rot. Bonds2

About 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone

1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone (PubChem CID 141044943) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone
PubChem CID141044943
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone
SMILESCC(=O)C1=C(C)NN(c2ccccc2)C1
InChIInChI=1S/C12H14N2O/c1-9-12(10(2)15)8-14(13-9)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3
InChIKeyVJRSWGOWDUGDTI-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone (CID 141044943) is 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone is CC(=O)C1=C(C)NN(c2ccccc2)C1.
What is the InChIKey of 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone?
The InChIKey is VJRSWGOWDUGDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-12(10(2)15)8-14(13-9)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3.
What are the key properties of 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone?
1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone has a molecular weight of 202.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyl-1,3-dihydropyrazol-4-yl)ethanone is sourced from PubChem (CID 141044943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).