2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one

C19H22FN3O2 — CID 56816863

IUPAC2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCCC2c2cccc(F)c2)ccc1=O
InChIInChI=1S/C19H22FN3O2/c1-2-3-12-23-18(24)10-9-16(21-23)19(25)22-11-5-8-17(22)14-6-4-7-15(20)13-14/h4,6-7,9-10,13,17H,2-3,5,8,11-12H2,1H3
InChIKeySLRUZLDBQCVGJX-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.16
Rot. Bonds5

About 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one

2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 56816863) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID56816863
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCCC2c2cccc(F)c2)ccc1=O
InChIInChI=1S/C19H22FN3O2/c1-2-3-12-23-18(24)10-9-16(21-23)19(25)22-11-5-8-17(22)14-6-4-7-15(20)13-14/h4,6-7,9-10,13,17H,2-3,5,8,11-12H2,1H3
InChIKeySLRUZLDBQCVGJX-UHFFFAOYSA-N
XLogP3.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
2-butyl-6-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 94002531
2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95579844
2-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 46536603
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95278877
6-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 47014760
6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 30035791
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51855646

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one (CID 56816863) is 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCCC2c2cccc(F)c2)ccc1=O.
What is the InChIKey of 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is SLRUZLDBQCVGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-3-12-23-18(24)10-9-16(21-23)19(25)22-11-5-8-17(22)14-6-4-7-15(20)13-14/h4,6-7,9-10,13,17H,2-3,5,8,11-12H2,1H3.
What are the key properties of 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 343.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 56816863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).