3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide

C25H28F3N5O5 — CID 143878437

IUPAC3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
SMILESO=C(Nc1ccn(CCCO)n1)C(CC1CCCC1)n1ncc(Oc2ccccc2OC(F)(F)F)cc1=O
InChIInChI=1S/C25H28F3N5O5/c26-25(27,28)38-21-9-4-3-8-20(21)37-18-15-23(35)33(29-16-18)19(14-17-6-1-2-7-17)24(36)30-22-10-12-32(31-22)11-5-13-34/h3-4,8-10,12,15-17,19,34H,1-2,5-7,11,13-14H2,(H,30,31,36)
InChIKeyIVUOUSAQZAZQEN-UHFFFAOYSA-N
MW535.52 g/mol
LogP4.27
Rot. Bonds11

About 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide

3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide (PubChem CID 143878437) has the molecular formula C25H28F3N5O5 and a molecular weight of 535.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
PubChem CID143878437
Molecular FormulaC25H28F3N5O5
Molecular Weight535.52 g/mol
Exact Mass535.20
IUPAC Name3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
SMILESO=C(Nc1ccn(CCCO)n1)C(CC1CCCC1)n1ncc(Oc2ccccc2OC(F)(F)F)cc1=O
InChIInChI=1S/C25H28F3N5O5/c26-25(27,28)38-21-9-4-3-8-20(21)37-18-15-23(35)33(29-16-18)19(14-17-6-1-2-7-17)24(36)30-22-10-12-32(31-22)11-5-13-34/h3-4,8-10,12,15-17,19,34H,1-2,5-7,11,13-14H2,(H,30,31,36)
InChIKeyIVUOUSAQZAZQEN-UHFFFAOYSA-N
XLogP4.27
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
CID 143878459
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
(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
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
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
CID 67504582
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide
CID 143878434
3-cyclohexyl-2-[4-(2-fluoro-4-methoxyphenoxy)-6-oxopyridazin-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)azaborol-3-yl]propanamide
CID 143878440
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-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide (CID 143878437) is 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide is O=C(Nc1ccn(CCCO)n1)C(CC1CCCC1)n1ncc(Oc2ccccc2OC(F)(F)F)cc1=O.
What is the InChIKey of 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide?
The InChIKey is IVUOUSAQZAZQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O5/c26-25(27,28)38-21-9-4-3-8-20(21)37-18-15-23(35)33(29-16-18)19(14-17-6-1-2-7-17)24(36)30-22-10-12-32(31-22)11-5-13-34/h3-4,8-10,12,15-17,19,34H,1-2,5-7,11,13-14H2,(H,30,31,36).
What are the key properties of 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide?
3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide has a molecular weight of 535.52 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide is sourced from PubChem (CID 143878437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).