4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine

C21H22ClN3O2 — CID 3047072

IUPAC4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
SMILESClc1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)20-16-25(19-4-2-1-3-5-19)23-21(20)27-15-12-24-10-13-26-14-11-24/h1-9,16H,10-15H2
InChIKeyHXSYCEMOLTVJEF-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.90
Rot. Bonds6

About 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine

4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine (PubChem CID 3047072) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
PubChem CID3047072
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
SMILESClc1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)20-16-25(19-4-2-1-3-5-19)23-21(20)27-15-12-24-10-13-26-14-11-24/h1-9,16H,10-15H2
InChIKeyHXSYCEMOLTVJEF-UHFFFAOYSA-N
XLogP3.90
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
CID 161408608
4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]morpholine
CID 70683517
2-[1,4-bis(4-chlorophenyl)pyrazol-3-yl]-1-morpholin-4-ylethanethione
CID 12887020
(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 9216828
4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
CID 3070778
4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
CID 18693316
4-[2-[2-(4-chlorophenyl)-3-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine;dihydrobromide
CID 44888843
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367
4-[2-[2-(4-chlorophenyl)-3-phenylpyrrolo[1,2-a]benzimidazol-4-yl]ethyl]morpholine;hydrate;dihydrochloride
CID 21155045
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
CID 166265933
8-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 34226742
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine (CID 3047072) is 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine is Clc1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine?
The InChIKey is HXSYCEMOLTVJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)20-16-25(19-4-2-1-3-5-19)23-21(20)27-15-12-24-10-13-26-14-11-24/h1-9,16H,10-15H2.
What are the key properties of 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine?
4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine has a molecular weight of 383.88 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 3047072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).