(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone

C23H16N2O2 — CID 171985656

IUPAC(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]nc(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H16N2O2/c26-22(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-25-21(19)23(27)18-14-8-3-9-15-18/h1-15H,(H,24,25)
InChIKeyPZJZPPJTQIONKX-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.54
Rot. Bonds5

About (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone

(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone (PubChem CID 171985656) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
PubChem CID171985656
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]nc(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H16N2O2/c26-22(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-25-21(19)23(27)18-14-8-3-9-15-18/h1-15H,(H,24,25)
InChIKeyPZJZPPJTQIONKX-UHFFFAOYSA-N
XLogP4.54
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-bromophenyl)-4-phenyl-1H-pyrazol-5-yl]-phenylmethanone
CID 72944927
(3,4-diphenyl-1H-pyrazol-5-yl)-(3-nitrophenyl)methanone
CID 135065441
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
4-methoxy-3-phenyl-1H-pyrazole-5-carbonyl chloride
CID 175752037
diphenylmethanone
CID 3102
[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone
CID 101218684
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
phenyl-(4-phenylphenyl)methanone
CID 155775877
4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 90221279
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
(3-hydroxy-2-phenylquinolin-4-yl)-phenylmethanone
CID 132540835
(2,5-diphenyltriazol-4-yl)-phenylmethanone
CID 13297593

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
The IUPAC name of (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone (CID 171985656) is (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone is O=C(c1ccccc1)c1[nH]nc(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
The InChIKey is PZJZPPJTQIONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-22(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-25-21(19)23(27)18-14-8-3-9-15-18/h1-15H,(H,24,25).
What are the key properties of (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone?
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone has a molecular weight of 352.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 171985656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).