2,5-diphenyl-1H-pyrazol-3-one;hydrochloride

C15H13ClN2O — CID 91989506

IUPAC2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1
InChIInChI=1S/C15H12N2O.ClH/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13;/h1-11,16H;1H
InChIKeyQUKNANZMNIIKAI-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.25
Rot. Bonds2

About 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride

2,5-diphenyl-1H-pyrazol-3-one;hydrochloride (PubChem CID 91989506) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
PubChem CID91989506
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1
InChIInChI=1S/C15H12N2O.ClH/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13;/h1-11,16H;1H
InChIKeyQUKNANZMNIIKAI-UHFFFAOYSA-N
XLogP3.25
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
N-Acetyl-1,2-diphenylhydrazine
CID 140901
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
Cinnamanilide
CID 690158
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-4-(phenylazo)-
CID 624132
4-Benzylidene-1-(4-iodophenyl)-3,5-pyrazolidinedione
CID 1049055
4-(4-Iodobenzylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
CID 10301426
3-tert-butyl-1-phenyl-1H-pyrazol-5-ol
CID 849362
5-methyl-3-oxo-N,2-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
CID 2384714
N,3-diphenylacrylamide
CID 95301
(4Z)-5-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 626055

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride?
The IUPAC name of 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride (CID 91989506) is 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride is Cl.O=c1cc(-c2ccccc2)[nH]n1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride?
The InChIKey is QUKNANZMNIIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.ClH/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13;/h1-11,16H;1H.
What are the key properties of 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride?
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 91989506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).