(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone

C19H23N3O3 — CID 90638234

IUPAC(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-13-24-16-8-6-15(7-9-16)19(23)22-12-10-17(14-22)25-18-5-4-11-20-21-18/h4-9,11,17H,2-3,10,12-14H2,1H3
InChIKeyNKOSRCLSUYUWJA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds7

About (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone

(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 90638234) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID90638234
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-3-13-24-16-8-6-15(7-9-16)19(23)22-12-10-17(14-22)25-18-5-4-11-20-21-18/h4-9,11,17H,2-3,10,12-14H2,1H3
InChIKeyNKOSRCLSUYUWJA-UHFFFAOYSA-N
XLogP2.95
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638410
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(4-butoxyphenyl)-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90636901
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 90638303
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638277
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (CID 90638234) is (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is CCCCOc1ccc(C(=O)N2CCC(Oc3cccnn3)C2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is NKOSRCLSUYUWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-3-13-24-16-8-6-15(7-9-16)19(23)22-12-10-17(14-22)25-18-5-4-11-20-21-18/h4-9,11,17H,2-3,10,12-14H2,1H3.
What are the key properties of (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90638234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).