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

C21H19N3O2 — CID 90638273

IUPAC(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C21H19N3O2/c25-21(18-10-8-17(9-11-18)16-5-2-1-3-6-16)24-14-12-19(15-24)26-20-7-4-13-22-23-20/h1-11,13,19H,12,14-15H2
InChIKeyHDAFQCKBNUYAPS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.44
Rot. Bonds4

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

(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 90638273) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID90638273
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C21H19N3O2/c25-21(18-10-8-17(9-11-18)16-5-2-1-3-6-16)24-14-12-19(15-24)26-20-7-4-13-22-23-20/h1-11,13,19H,12,14-15H2
InChIKeyHDAFQCKBNUYAPS-UHFFFAOYSA-N
XLogP3.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638178
N,N-dimethyl-4-(3-pyridazin-3-yloxypyrrolidine-1-carbonyl)benzenesulfonamide
CID 90638303
(4-butoxyphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638234
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638410
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100622951
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
(2-methylsulfanylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638321
(E)-3-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100621078

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (CID 90638273) is (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is HDAFQCKBNUYAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-21(18-10-8-17(9-11-18)16-5-2-1-3-6-16)24-14-12-19(15-24)26-20-7-4-13-22-23-20/h1-11,13,19H,12,14-15H2.
What are the key properties of (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90638273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).