4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine

C21H21Cl2N3O2 — CID 18693316

IUPAC4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
SMILESClc1cccc(-c2ccc(-n3nccc3OCCN3CCOCC3)cc2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-19-3-1-2-18(21(19)23)16-4-6-17(7-5-16)26-20(8-9-24-26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2
InChIKeyVEPHUXURWVTAFP-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.56
Rot. Bonds6

About 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine

4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine (PubChem CID 18693316) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
PubChem CID18693316
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
SMILESClc1cccc(-c2ccc(-n3nccc3OCCN3CCOCC3)cc2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-19-3-1-2-18(21(19)23)16-4-6-17(7-5-16)26-20(8-9-24-26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2
InChIKeyVEPHUXURWVTAFP-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine (CID 18693316) is 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine is Clc1cccc(-c2ccc(-n3nccc3OCCN3CCOCC3)cc2)c1Cl.
What is the InChIKey of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
The InChIKey is VEPHUXURWVTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c22-19-3-1-2-18(21(19)23)16-4-6-17(7-5-16)26-20(8-9-24-26)28-15-12-25-10-13-27-14-11-25/h1-9H,10-15H2.
What are the key properties of 4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine?
4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-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-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 18693316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).