[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone

C17H16N2O2 — CID 51426988

IUPAC[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone
SMILESC[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-17(21)12-15(13-8-4-2-5-9-13)18-19(17)16(20)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3/t17-/m1/s1
InChIKeyAKNATFMNYMHAEI-QGZVFWFLSA-N
MW280.33 g/mol
LogP2.65
Rot. Bonds2

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

[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 51426988) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID51426988
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone
SMILESC[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-17(21)12-15(13-8-4-2-5-9-13)18-19(17)16(20)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3/t17-/m1/s1
InChIKeyAKNATFMNYMHAEI-QGZVFWFLSA-N
XLogP2.65
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone
CID 3714362
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 1095421
(4-tert-butylphenyl)-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7290096
(4-tert-butylphenyl)-(5-ethyl-5-hydroxy-3-phenyl-4H-pyrazol-1-yl)methanone
CID 5160146
(4-hydroxyphenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 46741871
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 7302769
[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 1366647
(4-aminophenyl)-[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7370875
[(4aR,9aR)-4a,9-dimethyl-3-phenyl-4,9a-dihydropyridazino[3,4-b]indol-1-yl]-phenylmethanone
CID 132990323
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
CID 102387868
[(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
CID 1159498
(3-bromophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2869190

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone (CID 51426988) is [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone is C[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1.
What is the InChIKey of [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is AKNATFMNYMHAEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-17(21)12-15(13-8-4-2-5-9-13)18-19(17)16(20)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3/t17-/m1/s1.
What are the key properties of [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone?
[(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 280.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 51426988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).