3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one

C18H21N3O3 — CID 100621645

IUPAC3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC[C@H](Oc3cccnn3)C2)cc1
InChIInChI=1S/C18H21N3O3/c1-23-15-7-4-14(5-8-15)6-9-18(22)21-12-10-16(13-21)24-17-3-2-11-19-20-17/h2-5,7-8,11,16H,6,9-10,12-13H2,1H3/t16-/m0/s1
InChIKeyXVLRHTZKKSHJOX-INIZCTEOSA-N
MW327.38 g/mol
LogP2.10
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one (PubChem CID 100621645) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
PubChem CID100621645
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CC[C@H](Oc3cccnn3)C2)cc1
InChIInChI=1S/C18H21N3O3/c1-23-15-7-4-14(5-8-15)6-9-18(22)21-12-10-16(13-21)24-17-3-2-11-19-20-17/h2-5,7-8,11,16H,6,9-10,12-13H2,1H3/t16-/m0/s1
InChIKeyXVLRHTZKKSHJOX-INIZCTEOSA-N
XLogP2.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71799366
CID 71799366
CID 71799384
CID 71799384
CID 100628544
CID 100628544
CID 71799324
CID 71799324
CID 71799339
CID 71799339
CID 71799360
CID 71799360
CID 91627249
CID 91627249
CID 91627417
CID 91627417
CID 91627507
CID 91627507
CID 91627697
CID 91627697
CID 91627710
CID 91627710
CID 100624158
CID 100624158

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one (CID 100621645) is 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CC[C@H](Oc3cccnn3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
The InChIKey is XVLRHTZKKSHJOX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-7-4-14(5-8-15)6-9-18(22)21-12-10-16(13-21)24-17-3-2-11-19-20-17/h2-5,7-8,11,16H,6,9-10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one has a molecular weight of 327.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 100621645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).