4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride

C21H24ClN3O2 — CID 3046907

IUPAC4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride
SMILESCl.c1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1
InChIInChI=1S/C21H23N3O2.ClH/c1-3-7-18(8-4-1)20-17-24(19-9-5-2-6-10-19)22-21(20)26-16-13-23-11-14-25-15-12-23;/h1-10,17H,11-16H2;1H
InChIKeyDBBVMVJIHTYNLN-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.67
Rot. Bonds6

About 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride

4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride (PubChem CID 3046907) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.89 g/mol. Its IUPAC name is 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride
PubChem CID3046907
Molecular FormulaC21H24ClN3O2
Molecular Weight385.89 g/mol
Exact Mass385.16
IUPAC Name4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride
SMILESCl.c1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1
InChIInChI=1S/C21H23N3O2.ClH/c1-3-7-18(8-4-1)20-17-24(19-9-5-2-6-10-19)22-21(20)26-16-13-23-11-14-25-15-12-23;/h1-10,17H,11-16H2;1H
InChIKeyDBBVMVJIHTYNLN-UHFFFAOYSA-N
XLogP3.67
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride (CID 3046907) is 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride is Cl.c1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride?
The InChIKey is DBBVMVJIHTYNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.ClH/c1-3-7-18(8-4-1)20-17-24(19-9-5-2-6-10-19)22-21(20)26-16-13-23-11-14-25-15-12-23;/h1-10,17H,11-16H2;1H.
What are the key properties of 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride?
4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride is sourced from PubChem (CID 3046907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).