7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one

C15H18N2O — CID 11622862

IUPAC7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one
SMILESC=C1CN2C(=O)CCN2C(c2ccccc2)C1C
InChIInChI=1S/C15H18N2O/c1-11-10-17-14(18)8-9-16(17)15(12(11)2)13-6-4-3-5-7-13/h3-7,12,15H,1,8-10H2,2H3
InChIKeyJGBKYHJLSNRPEJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.38
Rot. Bonds1

About 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one

7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one (PubChem CID 11622862) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one
PubChem CID11622862
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one
SMILESC=C1CN2C(=O)CCN2C(c2ccccc2)C1C
InChIInChI=1S/C15H18N2O/c1-11-10-17-14(18)8-9-16(17)15(12(11)2)13-6-4-3-5-7-13/h3-7,12,15H,1,8-10H2,2H3
InChIKeyJGBKYHJLSNRPEJ-UHFFFAOYSA-N
XLogP2.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-7-phenyl-2,5,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde
CID 135044377
diethyl (7E,9R,10R)-8-methyl-3-oxo-10-phenyl-1,2,5,6,9,10-hexahydropyrazolo[1,2-a]diazocine-7,9-dicarboxylate
CID 102310512
1-[(2S)-2-phenylpiperazin-1-yl]pyrrolidin-2-one
CID 67060816
(5R,6S,7R)-6-nitro-5-phenyl-7-[(E)-2-phenylethenyl]-2,5,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-3-one
CID 102440730
(5S,6R,7S)-6-nitro-5-phenyl-7-[(E)-2-phenylethenyl]-2,5,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-3-one
CID 102440731
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
CID 131136395
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
ethyl (1R,3R,4S)-8-oxo-1,4-diphenyl-1,2,3,4,6,7-hexahydropyrazolo[1,2-a][1,2,4]triazine-3-carboxylate
CID 134948566
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
1-chloro-3-methyl-2,6-diphenylpiperidin-4-one
CID 13185093
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one (CID 11622862) is 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one is C=C1CN2C(=O)CCN2C(c2ccccc2)C1C.
What is the InChIKey of 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is JGBKYHJLSNRPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-10-17-14(18)8-9-16(17)15(12(11)2)13-6-4-3-5-7-13/h3-7,12,15H,1,8-10H2,2H3.
What are the key properties of 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one?
7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 242.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylidene-8-phenyl-2,5,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 11622862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).