4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine

C21H21Cl2N3O2 — CID 11604103

IUPAC4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine
SMILESClc1ccc(-n2nc(OCCN3CCOCC3)cc2-c2ccccc2)cc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-18-7-6-17(14-19(18)23)26-20(16-4-2-1-3-5-16)15-21(24-26)28-13-10-25-8-11-27-12-9-25/h1-7,14-15H,8-13H2
InChIKeyUFMLSFNIQLSGBU-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.56
Rot. Bonds6

About 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine

4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine (PubChem CID 11604103) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine
PubChem CID11604103
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine
SMILESClc1ccc(-n2nc(OCCN3CCOCC3)cc2-c2ccccc2)cc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-18-7-6-17(14-19(18)23)26-20(16-4-2-1-3-5-16)15-21(24-26)28-13-10-25-8-11-27-12-9-25/h1-7,14-15H,8-13H2
InChIKeyUFMLSFNIQLSGBU-UHFFFAOYSA-N
XLogP4.56
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
1-(3,4-Dichlorophenyl)-5-methyl-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11494380
1-(3,4-Dichlorophenyl)-5-methyl-3-(3-pyrrolidin-1-ylpropoxy)pyrazole
CID 11501260
1-[2-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]piperidine
CID 11508643
1-[4-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]-4-phenylpiperidine
CID 11518209
1-(3,4-Dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
CID 11522946
N-benzyl-4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N-methylbutan-1-amine
CID 11531518
4-[4-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]morpholine
CID 11552718
1-[4-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]-4-methylpiperazine
CID 11567446
4-{2-(1-(3,4-Dichlorophenyl)-5-methyl-1h pyrazol-3-yloxy)ethyl}morpholine
CID 11573971
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxy-N,N-diethylethanamine
CID 11602582
1-[1-(3,4-Dichlorophenyl)-5-methyl-3-(2-morpholin-4-ylethoxy)pyrazol-4-yl]ethanone
CID 11618199

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine (CID 11604103) is 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine is Clc1ccc(-n2nc(OCCN3CCOCC3)cc2-c2ccccc2)cc1Cl.
What is the InChIKey of 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine?
The InChIKey is UFMLSFNIQLSGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c22-18-7-6-17(14-19(18)23)26-20(16-4-2-1-3-5-16)15-21(24-26)28-13-10-25-8-11-27-12-9-25/h1-7,14-15H,8-13H2.
What are the key properties of 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine?
4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine has a molecular weight of 418.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 11604103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).