3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide

C26H39N5O5 — CID 68991204

IUPAC3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide
SMILESCC1CCCC(C)C1Oc1cnn(C(CC2CCCC2)C(=O)Nc2ccn(CC(O)CO)n2)c(=O)c1
InChIInChI=1S/C26H39N5O5/c1-17-6-5-7-18(2)25(17)36-21-13-24(34)31(27-14-21)22(12-19-8-3-4-9-19)26(35)28-23-10-11-30(29-23)15-20(33)16-32/h10-11,13-14,17-20,22,25,32-33H,3-9,12,15-16H2,1-2H3,(H,28,29,35)
InChIKeyHUNGKSZRMFZSPV-UHFFFAOYSA-N
MW501.63 g/mol
LogP2.76
Rot. Bonds10

About 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide

3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide (PubChem CID 68991204) has the molecular formula C26H39N5O5 and a molecular weight of 501.63 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide
PubChem CID68991204
Molecular FormulaC26H39N5O5
Molecular Weight501.63 g/mol
Exact Mass501.30
IUPAC Name3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide
SMILESCC1CCCC(C)C1Oc1cnn(C(CC2CCCC2)C(=O)Nc2ccn(CC(O)CO)n2)c(=O)c1
InChIInChI=1S/C26H39N5O5/c1-17-6-5-7-18(2)25(17)36-21-13-24(34)31(27-14-21)22(12-19-8-3-4-9-19)26(35)28-23-10-11-30(29-23)15-20(33)16-32/h10-11,13-14,17-20,22,25,32-33H,3-9,12,15-16H2,1-2H3,(H,28,29,35)
InChIKeyHUNGKSZRMFZSPV-UHFFFAOYSA-N
XLogP2.76
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-[(3-fluoro-2-pyridinyl)oxy]-6-oxopyridazin-1-yl]propanamide
CID 68994020
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-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
CID 143878459
3-cyclopentyl-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-[6-oxo-4-[2-(trifluoromethoxy)phenoxy]pyridazin-1-yl]propanamide
CID 143878437
(2S)-3-cyclohexyl-2-[4-(2,6-difluorophenoxy)-2-hydroxypyrrol-1-yl]-N-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-3-yl]propanamide
CID 90978749
2-[4-(benzenesulfinyl)-6-oxopyridazin-1-yl]-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 68991679
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
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-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]propanamide
CID 67190733
2-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide;hydrochloride
CID 66899580
(2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 91286970
tert-butyl N-[2-[3-[[(2S)-3-cyclopentyl-2-(2-hydroxy-4-methoxypyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]ethyl]carbamate
CID 91026354

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide (CID 68991204) is 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide is CC1CCCC(C)C1Oc1cnn(C(CC2CCCC2)C(=O)Nc2ccn(CC(O)CO)n2)c(=O)c1.
What is the InChIKey of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide?
The InChIKey is HUNGKSZRMFZSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O5/c1-17-6-5-7-18(2)25(17)36-21-13-24(34)31(27-14-21)22(12-19-8-3-4-9-19)26(35)28-23-10-11-30(29-23)15-20(33)16-32/h10-11,13-14,17-20,22,25,32-33H,3-9,12,15-16H2,1-2H3,(H,28,29,35).
What are the key properties of 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide?
3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide has a molecular weight of 501.63 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]-2-[4-(2,6-dimethylcyclohexyl)oxy-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 68991204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).