[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone

C23H18N2O2 — CID 134945763

IUPAC[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22(18-12-6-2-7-13-18)21-16-20(17-10-4-1-5-11-17)24-25(21)23(27)19-14-8-3-9-15-19/h1-15,21H,16H2/t21-/m0/s1
InChIKeyVEOGVFXYHYASAB-NRFANRHFSA-N
MW354.41 g/mol
LogP4.19
Rot. Bonds4

About [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone

[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone (PubChem CID 134945763) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone
PubChem CID134945763
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22(18-12-6-2-7-13-18)21-16-20(17-10-4-1-5-11-17)24-25(21)23(27)19-14-8-3-9-15-19/h1-15,21H,16H2/t21-/m0/s1
InChIKeyVEOGVFXYHYASAB-NRFANRHFSA-N
XLogP4.19
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-benzoyl-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylate
CID 134100204
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
furan-2-yl-[(3S)-2-(2-methoxybenzoyl)-5-phenyl-3,4-dihydropyrazol-3-yl]methanone
CID 134945705
(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7454978
[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1039127
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 97080916
[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone
CID 7103038
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
2-[2-[(3R)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetohydrazide
CID 41130391
[(3R)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 57392485
(4-fluorophenyl)-[3-(5-methylfuran-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 11841112

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone?
The IUPAC name of [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone (CID 134945763) is [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone?
The canonical SMILES for [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1CC(c2ccccc2)=NN1C(=O)c1ccccc1.
What is the InChIKey of [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone?
The InChIKey is VEOGVFXYHYASAB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22(18-12-6-2-7-13-18)21-16-20(17-10-4-1-5-11-17)24-25(21)23(27)19-14-8-3-9-15-19/h1-15,21H,16H2/t21-/m0/s1.
What are the key properties of [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone?
[(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone has a molecular weight of 354.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]-phenylmethanone is sourced from PubChem (CID 134945763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).