(4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one

C30H24N2O2 — CID 23244344

IUPAC(4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C(C[C@@H](c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O2/c33-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28-29(24-17-9-3-10-18-24)31-32(30(28)34)25-19-11-4-12-20-25/h1-20,26,28H,21H2/t26-,28-/m0/s1
InChIKeyPHZKLWWHEZNXQS-XCZPVHLTSA-N
MW444.53 g/mol
LogP6.11
Rot. Bonds7

About (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one

(4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 23244344) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID23244344
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name(4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESO=C(C[C@@H](c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O2/c33-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28-29(24-17-9-3-10-18-24)31-32(30(28)34)25-19-11-4-12-20-25/h1-20,26,28H,21H2/t26-,28-/m0/s1
InChIKeyPHZKLWWHEZNXQS-XCZPVHLTSA-N
XLogP6.11
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(1R)-1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 23244348
2-[(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)-phenylmethyl]indene-1,3-dione
CID 14546183
(3S)-3-(9H-fluoren-9-yl)-1,3-diphenylpropan-1-one
CID 139084691
(4R)-4-[(4-chlorophenyl)-[(4S)-5-oxo-1,3-diphenyl-4H-pyrazol-4-yl]methyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 98155297
2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 2737759
3,5,7-triphenyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
CID 12658911
4-[1-(3,4-dimethoxyphenyl)-3-oxo-3-phenylpropyl]-3-phenyl-4H-1,2-oxazol-5-one
CID 50885318
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
(4aR,8aS)-2,4-diphenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 101497153
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
(4R)-4-(5-bromofuran-2-carbonyl)-2,5-diphenyl-4H-pyrazol-3-one
CID 98168438
(4S)-4-[(S)-(N-hydroxyanilino)-phenylmethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 6558171

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one (CID 23244344) is (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one is O=C(C[C@@H](c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is PHZKLWWHEZNXQS-XCZPVHLTSA-N. The full InChI is InChI=1S/C30H24N2O2/c33-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28-29(24-17-9-3-10-18-24)31-32(30(28)34)25-19-11-4-12-20-25/h1-20,26,28H,21H2/t26-,28-/m0/s1.
What are the key properties of (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one?
(4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 444.53 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-3-oxo-1,3-diphenylpropyl]-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 23244344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).