(3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one

C24H20N2O — CID 139190876

IUPAC(3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)n1ccc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H20N2O/c27-24(21-14-8-3-9-15-21)18-23(20-12-6-2-7-13-20)26-17-16-22(25-26)19-10-4-1-5-11-19/h1-17,23H,18H2/t23-/m0/s1
InChIKeyXNMDXWYKVPIHJM-QHCPKHFHSA-N
MW352.44 g/mol
LogP5.41
Rot. Bonds6

About (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one

(3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one (PubChem CID 139190876) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one
PubChem CID139190876
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)n1ccc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H20N2O/c27-24(21-14-8-3-9-15-21)18-23(20-12-6-2-7-13-20)26-17-16-22(25-26)19-10-4-1-5-11-19/h1-17,23H,18H2/t23-/m0/s1
InChIKeyXNMDXWYKVPIHJM-QHCPKHFHSA-N
XLogP5.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 40573311
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866
(3R)-1-phenyl-3-pyrazol-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 102125723
(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
CID 102125729
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
3-(3-oxo-1,3-diphenylpropyl)-1,3-oxazolidin-2-one
CID 11403687
(3R,5S)-3,5-dihydroxy-1,7-diphenylheptane-1,7-dione
CID 57327357
N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide
CID 146165038
3-(4-chlorophenyl)-3-[4-(2-chlorophenyl)triazol-2-yl]-1-phenylpropan-1-one
CID 135032701

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one?
The IUPAC name of (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one (CID 139190876) is (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one?
The canonical SMILES for (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one is O=C(C[C@@H](c1ccccc1)n1ccc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one?
The InChIKey is XNMDXWYKVPIHJM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H20N2O/c27-24(21-14-8-3-9-15-21)18-23(20-12-6-2-7-13-20)26-17-16-22(25-26)19-10-4-1-5-11-19/h1-17,23H,18H2/t23-/m0/s1.
What are the key properties of (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one?
(3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one has a molecular weight of 352.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-diphenyl-3-(3-phenylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 139190876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).