4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine

C20H28BrN3O2 — CID 170870194

IUPAC4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine
SMILESCOc1ccc(CCCN2CCOCC2)cc1Cn1nc(C)c(Br)c1C
InChIInChI=1S/C20H28BrN3O2/c1-15-20(21)16(2)24(22-15)14-18-13-17(6-7-19(18)25-3)5-4-8-23-9-11-26-12-10-23/h6-7,13H,4-5,8-12,14H2,1-3H3
InChIKeyGBRYZKJEMSOSNE-UHFFFAOYSA-N
MW422.37 g/mol
LogP3.58
Rot. Bonds7

About 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine

4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine (PubChem CID 170870194) has the molecular formula C20H28BrN3O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine
PubChem CID170870194
Molecular FormulaC20H28BrN3O2
Molecular Weight422.37 g/mol
Exact Mass421.14
IUPAC Name4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine
SMILESCOc1ccc(CCCN2CCOCC2)cc1Cn1nc(C)c(Br)c1C
InChIInChI=1S/C20H28BrN3O2/c1-15-20(21)16(2)24(22-15)14-18-13-17(6-7-19(18)25-3)5-4-8-23-9-11-26-12-10-23/h6-7,13H,4-5,8-12,14H2,1-3H3
InChIKeyGBRYZKJEMSOSNE-UHFFFAOYSA-N
XLogP3.58
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]propyl]morpholine
CID 170870228
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-propan-2-yloxy-3-(pyrazol-1-ylmethyl)phenyl]propyl]morpholine
CID 170870373

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine (CID 170870194) is 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine is COc1ccc(CCCN2CCOCC2)cc1Cn1nc(C)c(Br)c1C.
What is the InChIKey of 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine?
The InChIKey is GBRYZKJEMSOSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN3O2/c1-15-20(21)16(2)24(22-15)14-18-13-17(6-7-19(18)25-3)5-4-8-23-9-11-26-12-10-23/h6-7,13H,4-5,8-12,14H2,1-3H3.
What are the key properties of 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine?
4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine has a molecular weight of 422.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]propyl]morpholine is sourced from PubChem (CID 170870194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).