1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

C21H32N4O3 — CID 45190478

IUPAC1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCN(CCn1cccn1)Cc1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C21H32N4O3/c1-2-23(9-10-25-8-4-7-22-25)16-19-5-3-6-21(15-19)28-18-20(26)17-24-11-13-27-14-12-24/h3-8,15,20,26H,2,9-14,16-18H2,1H3
InChIKeyGJYPZIJFSUMMBL-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.48
Rot. Bonds11

About 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 45190478) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID45190478
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCN(CCn1cccn1)Cc1cccc(OCC(O)CN2CCOCC2)c1
InChIInChI=1S/C21H32N4O3/c1-2-23(9-10-25-8-4-7-22-25)16-19-5-3-6-21(15-19)28-18-20(26)17-24-11-13-27-14-12-24/h3-8,15,20,26H,2,9-14,16-18H2,1H3
InChIKeyGJYPZIJFSUMMBL-UHFFFAOYSA-N
XLogP1.48
TPSA62.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-(azepan-1-yl)-3-[3-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenoxy]propan-2-ol
CID 45207449
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
(2S)-1-[3-[[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 25370474
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28956370
1-(4-ethylpiperazin-1-yl)-3-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45208391
1-(4-ethylpiperazin-1-yl)-3-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propan-2-ol
CID 72863257
1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72859174
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93162217

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 45190478) is 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is CCN(CCn1cccn1)Cc1cccc(OCC(O)CN2CCOCC2)c1.
What is the InChIKey of 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GJYPZIJFSUMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-23(9-10-25-8-4-7-22-25)16-19-5-3-6-21(15-19)28-18-20(26)17-24-11-13-27-14-12-24/h3-8,15,20,26H,2,9-14,16-18H2,1H3.
What are the key properties of 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 388.51 g/mol, XLogP of 1.48, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 45190478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).