4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one

C19H24BrN3O3 — CID 133303502

IUPAC4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one
SMILESCOc1cc(C(C)Nc2cnn(C)c(=O)c2Br)ccc1OC1CCCC1
InChIInChI=1S/C19H24BrN3O3/c1-12(22-15-11-21-23(2)19(24)18(15)20)13-8-9-16(17(10-13)25-3)26-14-6-4-5-7-14/h8-12,14,22H,4-7H2,1-3H3
InChIKeyZRSORIRDFDSWOD-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.05
Rot. Bonds6

About 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one

4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one (PubChem CID 133303502) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one
PubChem CID133303502
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Name4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one
SMILESCOc1cc(C(C)Nc2cnn(C)c(=O)c2Br)ccc1OC1CCCC1
InChIInChI=1S/C19H24BrN3O3/c1-12(22-15-11-21-23(2)19(24)18(15)20)13-8-9-16(17(10-13)25-3)26-14-6-4-5-7-14/h8-12,14,22H,4-7H2,1-3H3
InChIKeyZRSORIRDFDSWOD-UHFFFAOYSA-N
XLogP4.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86994806
5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
CID 114385970
4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
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CID 30119294
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684986
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 94028872
2-(4-acetyl-2-methoxyphenoxy)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]acetamide
CID 55746116
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one (CID 133303502) is 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one is COc1cc(C(C)Nc2cnn(C)c(=O)c2Br)ccc1OC1CCCC1.
What is the InChIKey of 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one?
The InChIKey is ZRSORIRDFDSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-12(22-15-11-21-23(2)19(24)18(15)20)13-8-9-16(17(10-13)25-3)26-14-6-4-5-7-14/h8-12,14,22H,4-7H2,1-3H3.
What are the key properties of 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one?
4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one has a molecular weight of 422.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133303502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).