(Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

C24H27N3O6 — CID 52952977

IUPAC(Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H23N3O2.C4H4O4/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;5-3(6)1-2-4(7)8/h2-7,14-15H,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyOSYVMGHQTSMGBA-BTJKTKAUSA-N
MW453.50 g/mol
LogP2.76
Rot. Bonds7

About (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

(Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (PubChem CID 52952977) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
PubChem CID52952977
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Name(Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H23N3O2.C4H4O4/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;5-3(6)1-2-4(7)8/h2-7,14-15H,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyOSYVMGHQTSMGBA-BTJKTKAUSA-N
XLogP2.76
TPSA114.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 123557999
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]piperidine
CID 11537339
4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 71449814
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
but-2-enedioic acid;4-[2-[3-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)phenoxy]ethyl]morpholine
CID 67800771
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]acridine
CID 151551942
1-[4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperazin-1-yl]ethanone
CID 24743842
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(Z)-but-2-enedioic acid;4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxy)butyl]-1,4-oxazepane
CID 71711523
4-[2-[[6-(3-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 91484041

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The IUPAC name of (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (CID 52952977) is (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.
What is the SMILES notation for (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The canonical SMILES for (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The InChIKey is OSYVMGHQTSMGBA-BTJKTKAUSA-N. The full InChI is InChI=1S/C20H23N3O2.C4H4O4/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19;5-3(6)1-2-4(7)8/h2-7,14-15H,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
(Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine has a molecular weight of 453.50 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 52952977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).