1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one

C13H16N2O2 — CID 569622

IUPAC1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one
SMILESCCC(=O)N1N=C(C)CC1(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-3-12(16)15-13(17,9-10(2)14-15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3
InChIKeyYJZFVOVOEQXDDX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.85
Rot. Bonds2

About 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one

1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one (PubChem CID 569622) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one
PubChem CID569622
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one
SMILESCCC(=O)N1N=C(C)CC1(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-3-12(16)15-13(17,9-10(2)14-15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3
InChIKeyYJZFVOVOEQXDDX-UHFFFAOYSA-N
XLogP1.85
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one (CID 569622) is 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one is CCC(=O)N1N=C(C)CC1(O)c1ccccc1.
What is the InChIKey of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one?
The InChIKey is YJZFVOVOEQXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-12(16)15-13(17,9-10(2)14-15)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3.
What are the key properties of 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one?
1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one has a molecular weight of 232.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)propan-1-one is sourced from PubChem (CID 569622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).