3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one

C23H27N5O2 — CID 58072353

IUPAC3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(N3CCOCC3)cc2)nc1-c1ccnn1C1CCCCC1
InChIInChI=1S/C23H27N5O2/c29-22-11-13-27(19-8-6-18(7-9-19)26-14-16-30-17-15-26)25-23(22)21-10-12-24-28(21)20-4-2-1-3-5-20/h6-13,20H,1-5,14-17H2
InChIKeyMUYFDYFOFLHWSC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.44
Rot. Bonds4

About 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one

3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one (PubChem CID 58072353) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one.

Molecular Properties

Compound Name3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one
PubChem CID58072353
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(N3CCOCC3)cc2)nc1-c1ccnn1C1CCCCC1
InChIInChI=1S/C23H27N5O2/c29-22-11-13-27(19-8-6-18(7-9-19)26-14-16-30-17-15-26)25-23(22)21-10-12-24-28(21)20-4-2-1-3-5-20/h6-13,20H,1-5,14-17H2
InChIKeyMUYFDYFOFLHWSC-UHFFFAOYSA-N
XLogP3.44
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
3-[2-(4-methylphenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
CID 46873186
4-(4-morpholin-4-ylanilino)azepan-2-one
CID 63888088
N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline
CID 166374920
3-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-1-phenylpyridazin-4-one
CID 46219190
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534741
(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one
CID 59297359
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one?
The IUPAC name of 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one (CID 58072353) is 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one.
What is the SMILES notation for 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one?
The canonical SMILES for 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one is O=c1ccn(-c2ccc(N3CCOCC3)cc2)nc1-c1ccnn1C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one?
The InChIKey is MUYFDYFOFLHWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22-11-13-27(19-8-6-18(7-9-19)26-14-16-30-17-15-26)25-23(22)21-10-12-24-28(21)20-4-2-1-3-5-20/h6-13,20H,1-5,14-17H2.
What are the key properties of 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one?
3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)pyridazin-4-one is sourced from PubChem (CID 58072353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).