4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine

C23H26FN3O3 — CID 171907763

IUPAC4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine
SMILESCOc1ccc(F)cc1-c1ccc(OCCn2cccn2)c(CN2CCOCC2)c1
InChIInChI=1S/C23H26FN3O3/c1-28-23-6-4-20(24)16-21(23)18-3-5-22(30-14-11-27-8-2-7-25-27)19(15-18)17-26-9-12-29-13-10-26/h2-8,15-16H,9-14,17H2,1H3
InChIKeyBKZPNOPXXZMWBW-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.61
Rot. Bonds8

About 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine

4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine (PubChem CID 171907763) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine
PubChem CID171907763
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine
SMILESCOc1ccc(F)cc1-c1ccc(OCCn2cccn2)c(CN2CCOCC2)c1
InChIInChI=1S/C23H26FN3O3/c1-28-23-6-4-20(24)16-21(23)18-3-5-22(30-14-11-27-8-2-7-25-27)19(15-18)17-26-9-12-29-13-10-26/h2-8,15-16H,9-14,17H2,1H3
InChIKeyBKZPNOPXXZMWBW-UHFFFAOYSA-N
XLogP3.61
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
4-[[2-(3-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 74250444
1-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111786361
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
CID 71540732
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
CID 53313942
(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 55189579
4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride
CID 171671238
5-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117465926
[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol
CID 72839517

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine?
The IUPAC name of 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine (CID 171907763) is 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine is COc1ccc(F)cc1-c1ccc(OCCn2cccn2)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine?
The InChIKey is BKZPNOPXXZMWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-28-23-6-4-20(24)16-21(23)18-3-5-22(30-14-11-27-8-2-7-25-27)19(15-18)17-26-9-12-29-13-10-26/h2-8,15-16H,9-14,17H2,1H3.
What are the key properties of 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine?
4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine has a molecular weight of 411.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-fluoro-2-methoxyphenyl)-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]morpholine is sourced from PubChem (CID 171907763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).