2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one

C19H23N3O2 — CID 94824287

IUPAC2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one
SMILESCC(C)[C@H]1CCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-14(2)17-9-6-12-21(17)19(24)13-22-18(23)11-10-16(20-22)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17H,6,9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyCOCOGUXDWFZEEN-QGZVFWFLSA-N
MW325.41 g/mol
LogP2.56
Rot. Bonds4

About 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one

2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one (PubChem CID 94824287) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one
PubChem CID94824287
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one
SMILESCC(C)[C@H]1CCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-14(2)17-9-6-12-21(17)19(24)13-22-18(23)11-10-16(20-22)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17H,6,9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyCOCOGUXDWFZEEN-QGZVFWFLSA-N
XLogP2.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 94182934
2-[2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 52513916
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
(1S,6R,7R)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254766
2-[2-(3-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 126804717
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035
N,N-diethyl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-1,4-diazepan-1-yl]acetamide
CID 55831073
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one (CID 94824287) is 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one is CC(C)[C@H]1CCCN1C(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one?
The InChIKey is COCOGUXDWFZEEN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)17-9-6-12-21(17)19(24)13-22-18(23)11-10-16(20-22)15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17H,6,9,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one?
2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one has a molecular weight of 325.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 94824287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).