4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride

C23H28ClN3O4 — CID 3046931

IUPAC4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C23H27N3O4.ClH/c1-27-20-7-3-18(4-8-20)22-17-26(19-5-9-21(28-2)10-6-19)24-23(22)30-16-13-25-11-14-29-15-12-25;/h3-10,17H,11-16H2,1-2H3;1H
InChIKeyOTQZKEDGABBMCZ-UHFFFAOYSA-N
MW445.95 g/mol
LogP3.69
Rot. Bonds8

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

4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride (PubChem CID 3046931) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride
PubChem CID3046931
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC Name4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C23H27N3O4.ClH/c1-27-20-7-3-18(4-8-20)22-17-26(19-5-9-21(28-2)10-6-19)24-23(22)30-16-13-25-11-14-29-15-12-25;/h3-10,17H,11-16H2,1-2H3;1H
InChIKeyOTQZKEDGABBMCZ-UHFFFAOYSA-N
XLogP3.69
TPSA57.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride (CID 3046931) is 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride is COc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCN2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
The InChIKey is OTQZKEDGABBMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4.ClH/c1-27-20-7-3-18(4-8-20)22-17-26(19-5-9-21(28-2)10-6-19)24-23(22)30-16-13-25-11-14-29-15-12-25;/h3-10,17H,11-16H2,1-2H3;1H.
What are the key properties of 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride?
4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride has a molecular weight of 445.95 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine;hydrochloride is sourced from PubChem (CID 3046931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).