5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one

C14H12N4O2 — CID 91552094

IUPAC5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one
SMILESCc1[nH]n(-c2ccn[nH]c2=O)c(=O)c1-c1ccccc1
InChIInChI=1S/C14H12N4O2/c1-9-12(10-5-3-2-4-6-10)14(20)18(17-9)11-7-8-15-16-13(11)19/h2-8,17H,1H3,(H,16,19)
InChIKeyJXVRCZHVFGDOPS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.22
Rot. Bonds2

About 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one

5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one (PubChem CID 91552094) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one
PubChem CID91552094
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one
SMILESCc1[nH]n(-c2ccn[nH]c2=O)c(=O)c1-c1ccccc1
InChIInChI=1S/C14H12N4O2/c1-9-12(10-5-3-2-4-6-10)14(20)18(17-9)11-7-8-15-16-13(11)19/h2-8,17H,1H3,(H,16,19)
InChIKeyJXVRCZHVFGDOPS-UHFFFAOYSA-N
XLogP1.22
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 174672389
4-[bis[4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)phenyl]methyl]benzonitrile
CID 102311650
2-[(3-chlorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 22769211
6-methyl-7-phenyl-5H-imidazo[1,2-b]pyrazole
CID 15728929
CID 70486296
CID 70486296
2-methyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496297
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
4-(2H-1,4-benzothiazin-3-yl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 53305467
ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate
CID 134087044
5-methyl-2-(6-methyl-5-methylsulfonyl-2-pyridinyl)-4-(4-methylphenyl)-1H-pyrazol-3-one
CID 156860068
3-(4-methylphenyl)-2,4-diphenyl-1H-pyrazol-5-one
CID 11034751
2-amino-6-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-phenylpyridine-3-carbonitrile
CID 86765154

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one (CID 91552094) is 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one is Cc1[nH]n(-c2ccn[nH]c2=O)c(=O)c1-c1ccccc1.
What is the InChIKey of 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one?
The InChIKey is JXVRCZHVFGDOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-12(10-5-3-2-4-6-10)14(20)18(17-9)11-7-8-15-16-13(11)19/h2-8,17H,1H3,(H,16,19).
What are the key properties of 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one?
5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one has a molecular weight of 268.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 91552094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).