1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one

C13H16N2O2 — CID 40531856

IUPAC1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1N=CC[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(2)12(16)15-13(17,8-9-14-15)11-6-4-3-5-7-11/h3-7,9-10,17H,8H2,1-2H3/t13-/m1/s1
InChIKeyAABFFPXDKYZIPL-CYBMUJFWSA-N
MW232.28 g/mol
LogP1.71
Rot. Bonds2

About 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one

1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one (PubChem CID 40531856) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
PubChem CID40531856
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1N=CC[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(2)12(16)15-13(17,8-9-14-15)11-6-4-3-5-7-11/h3-7,9-10,17H,8H2,1-2H3/t13-/m1/s1
InChIKeyAABFFPXDKYZIPL-CYBMUJFWSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one
CID 713990
[(5R)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 40523005
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
CID 102387868
2-phenyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 67300735
[(5S)-5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl]-phenylmethanone
CID 781848
(4-bromophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2884136
3-phenyl-1-propan-2-ylazetidin-3-ol
CID 58547253
methyl (5S)-1-(2-fluorobenzoyl)-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylate
CID 691750
(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-pyridin-3-ylmethanone
CID 2845042
1-phenyl-2-(1-phenylethyl)cyclopropane-1-carboxamide
CID 69092013
2-methyl-3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropanoic acid
CID 122065781
[(5S)-5-hydroxy-3-methyl-5-(4-methylphenyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 1387344

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one (CID 40531856) is 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1N=CC[C@@]1(O)c1ccccc1.
What is the InChIKey of 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
The InChIKey is AABFFPXDKYZIPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(2)12(16)15-13(17,8-9-14-15)11-6-4-3-5-7-11/h3-7,9-10,17H,8H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one?
1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one has a molecular weight of 232.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 40531856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).