2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone

C18H16N2O2 — CID 162074670

IUPAC2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone
SMILESO=C(CO)c1ccc(CC2=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C18H16N2O2/c21-12-18(22)15-8-6-13(7-9-15)10-16-11-17(20-19-16)14-4-2-1-3-5-14/h1-9,21H,10-12H2
InChIKeyZBNXVRPBDHQNCQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.65
Rot. Bonds5

About 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone

2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone (PubChem CID 162074670) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone
PubChem CID162074670
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone
SMILESO=C(CO)c1ccc(CC2=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C18H16N2O2/c21-12-18(22)15-8-6-13(7-9-15)10-16-11-17(20-19-16)14-4-2-1-3-5-14/h1-9,21H,10-12H2
InChIKeyZBNXVRPBDHQNCQ-UHFFFAOYSA-N
XLogP2.65
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;2-hydroxy-1-phenylethanone
CID 174663024
azane;2-hydroxy-1-phenylethanone
CID 161228887
1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone
CID 161071002
2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid
CID 148651840
4-(4-benzylphenyl)-4-oxobutanoate
CID 6963888
1-[4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]phenyl]-2-hydroxyethanone
CID 160921113
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
butanoic acid;2-hydroxy-1-phenylethanone
CID 175969128
butane;3-methyl-5-phenyl-4H-pyrazole
CID 91042720
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
CID 162138087
ethyl 5-phenyl-4H-pyrazole-3-carboxylate
CID 45069301

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone (CID 162074670) is 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone is O=C(CO)c1ccc(CC2=NN=C(c3ccccc3)C2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone?
The InChIKey is ZBNXVRPBDHQNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-12-18(22)15-8-6-13(7-9-15)10-16-11-17(20-19-16)14-4-2-1-3-5-14/h1-9,21H,10-12H2.
What are the key properties of 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone?
2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[(5-phenyl-4H-pyrazol-3-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 162074670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).