3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide

C24H27Cl2N5O4 — CID 143878459

IUPAC3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
SMILESO=C(Nc1ccn(CCCO)n1)C(CC1CCCC1)n1ncc(Oc2cccc(Cl)c2Cl)cc1=O
InChIInChI=1S/C24H27Cl2N5O4/c25-18-7-3-8-20(23(18)26)35-17-14-22(33)31(27-15-17)19(13-16-5-1-2-6-16)24(34)28-21-9-11-30(29-21)10-4-12-32/h3,7-9,11,14-16,19,32H,1-2,4-6,10,12-13H2,(H,28,29,34)
InChIKeyLAZMITSUEXPJHI-UHFFFAOYSA-N
MW520.42 g/mol
LogP4.68
Rot. Bonds10

About 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide

3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide (PubChem CID 143878459) has the molecular formula C24H27Cl2N5O4 and a molecular weight of 520.42 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
PubChem CID143878459
Molecular FormulaC24H27Cl2N5O4
Molecular Weight520.42 g/mol
Exact Mass519.14
IUPAC Name3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
SMILESO=C(Nc1ccn(CCCO)n1)C(CC1CCCC1)n1ncc(Oc2cccc(Cl)c2Cl)cc1=O
InChIInChI=1S/C24H27Cl2N5O4/c25-18-7-3-8-20(23(18)26)35-17-14-22(33)31(27-15-17)19(13-16-5-1-2-6-16)24(34)28-21-9-11-30(29-21)10-4-12-32/h3,7-9,11,14-16,19,32H,1-2,4-6,10,12-13H2,(H,28,29,34)
InChIKeyLAZMITSUEXPJHI-UHFFFAOYSA-N
XLogP4.68
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.42
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
CID 143878437
3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
CID 68994020
3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide
CID 68991204
2-[4-(benzenesulfinyl)-6-oxopyridazin-1-yl]-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 68991679
3-cyclopentyl-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[4-(2-fluoro-5-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
CID 68990492
2-[3-(2-chloro-3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide
CID 66899999
N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(3-ethoxy-2,6-difluorophenoxy)-6-oxopyridazin-1-yl]-3-(oxan-4-yl)propanamide
CID 66891635
(2S)-2-[4-(2,3-dichlorophenoxy)-2-hydroxypyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 91040216
(2S)-3-cyclopentyl-2-[4-(2-fluorophenoxy)-6-oxopyridazin-1-yl]propanamide
CID 141369662
(2R)-3-cyclopentyl-2-[4-(2-methylphenoxy)-6-oxopyridazin-1-yl]propanamide
CID 141369655
2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide
CID 129016863
N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[6-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridazin-1-yl]propanamide
CID 66893140

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide (CID 143878459) is 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide is O=C(Nc1ccn(CCCO)n1)C(CC1CCCC1)n1ncc(Oc2cccc(Cl)c2Cl)cc1=O.
What is the InChIKey of 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide?
The InChIKey is LAZMITSUEXPJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O4/c25-18-7-3-8-20(23(18)26)35-17-14-22(33)31(27-15-17)19(13-16-5-1-2-6-16)24(34)28-21-9-11-30(29-21)10-4-12-32/h3,7-9,11,14-16,19,32H,1-2,4-6,10,12-13H2,(H,28,29,34).
What are the key properties of 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide?
3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide has a molecular weight of 520.42 g/mol, XLogP of 4.68, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 143878459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).