5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one

C16H13N3O — CID 3830708

IUPAC5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/C=N/c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16-14(11-17-13-9-5-2-6-10-13)15(18-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)/b17-11+
InChIKeyBGXXFAFONKWDRW-GZTJUZNOSA-N
MW263.30 g/mol
LogP3.12
Rot. Bonds3

About 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one

5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one (PubChem CID 3830708) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one
PubChem CID3830708
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1/C=N/c1ccccc1
InChIInChI=1S/C16H13N3O/c20-16-14(11-17-13-9-5-2-6-10-13)15(18-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)/b17-11+
InChIKeyBGXXFAFONKWDRW-GZTJUZNOSA-N
XLogP3.12
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-[(phenylamino)methylene]-
CID 107513
(Z)-3-methyl-4-((phenethylamino)methylene)-1-phenyl-1H-pyrazol-5(4H)-one
CID 2927970
Vegfr-2-IN-32
CID 135686834
5-methyl-4-{[4-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one
CID 1487899
3-phenyl-4-[[4-(trifluoromethyl)anilino]methylidene]-1H-pyrazol-5-one
CID 1487900
4-[(2,4-difluoroanilino)methylidene]-3-phenyl-1H-pyrazol-5-one
CID 3385158
4-[(3-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 3746805
4-[(4-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 3765151
(4E)-2-(4-fluorophenyl)-4-{[(4-methylphenyl)amino]methylene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
CID 705118
5-phenyl-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one
CID 1487866
4-[(2-chloroanilino)methylene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 3707474
4-(anilinomethylene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 3786458

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one (CID 3830708) is 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2ccccc2)c1/C=N/c1ccccc1.
What is the InChIKey of 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is BGXXFAFONKWDRW-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-14(11-17-13-9-5-2-6-10-13)15(18-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19,20)/b17-11+.
What are the key properties of 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one?
5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 263.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(phenyliminomethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 3830708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).