4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride

C22H26ClN3O3 — CID 3046921

IUPAC4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-26-20-9-7-18(8-10-20)21-17-25(19-5-3-2-4-6-19)23-22(21)28-16-13-24-11-14-27-15-12-24;/h2-10,17H,11-16H2,1H3;1H
InChIKeyCZXIKSXTDUFLJY-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.68
Rot. Bonds7

About 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride

4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride (PubChem CID 3046921) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride
PubChem CID3046921
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-26-20-9-7-18(8-10-20)21-17-25(19-5-3-2-4-6-19)23-22(21)28-16-13-24-11-14-27-15-12-24;/h2-10,17H,11-16H2,1H3;1H
InChIKeyCZXIKSXTDUFLJY-UHFFFAOYSA-N
XLogP3.68
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride (CID 3046921) is 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride is COc1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The InChIKey is CZXIKSXTDUFLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c1-26-20-9-7-18(8-10-20)21-17-25(19-5-3-2-4-6-19)23-22(21)28-16-13-24-11-14-27-15-12-24;/h2-10,17H,11-16H2,1H3;1H.
What are the key properties of 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine;hydrochloride is sourced from PubChem (CID 3046921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).